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1cm5

CRYSTAL STRUCTURE OF C418A,C419A MUTANT OF PFL FROM E.COLI

Method: X-RAY DIFFRACTION D_max: 124.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cm5
deposition_date	1999-05-14
title	CRYSTAL STRUCTURE OF C418A,C419A MUTANT OF PFL FROM E.COLI
keywords	GLYCYL RADICAL ENZYME, TRANSFERASE, GLUCOSE METABOLISM; TRANSFERASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	38.01 Å
rg_electron	37.63 Å
i0	436171000.00
molecular_weight	170460.0 kDa
excluded_volume	213020 Å³
envelope_volume	254540 Å³
shell_volume	55609 Å³
envelope_diameter	136.3 Å
shell_rg	44.48 Å
envelope_rg	37.75 Å
shape_rg	37.62 Å
total_rg	38.01 Å
total_atoms	11982
n_residues	1518
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	124.5 Å
rg_real	38.07 Å
rg_real_error	0.86 Å
i0_real	4.3620e+08
i0_real_error	7.4790e+06
rg_reciprocal	38.04 Å
i0_reciprocal	436200000.0000
total_estimate	0.8878
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.5 Å
skewness	0.329
kurtosis	-0.614
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	154500000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.872; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.931

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (PYRUVATE FORMATE-LYASE)
formula_weight	85263.8 kDa
ec_number	2.3.1.54
mutation	C418A,C419A
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	12751

SELNEKLATAWEGFTKGDWQNEVNVRDFIQKNYTPYEGDESFLAGATEATTTLWDKVMEGVKLENRTHAPVDFDTAVASTITSHDAGYINKQLEKIVGLQTEAPLKRALIPFGGIKMIEGSCKAYNRELDPMIKKIFTEYRKTHNQGVFDVYTPDILRCRKSGVLTGLPDAYGRGRIIGDYRRVALYGIDYLMKDKLAQFTSLQADLENGVNLEQTIRLREEIAEQHRALGQMKEMAAKYGYDISGPATNAQEAIQWTYFGYLAAVKSQNGAAMSFGRTSTFLDVYIERDLKAGKITEQEAQEMVDHLVMKLRMVRFLRTPEYDELFSGDPIWATESIGGMGLDGRTLVTKNSFRFLNTLYTMGPSPEPNMTILWSEKLPLNFKKFAAKVSIDTSSLQYENDDLMRPDFNNDDYAIAAAVSPMIVGKQMQFFGARANLAKTMLYAINGGVDEKLKMQVGPKSEPIKGDVLNYDEVMERMDHFMDWLAKQYITALNIIHYMHDKYSYEASLMALHDRDVIRTMACGIAGLSVAADSLSAIKYAKVKPIRDEDGLAIDFEIEGEYPQFGNNDPRVDDLAVDLVERFMKKIQKLHTYRDAIPTQSVLTITSNVVYGKKTGNTPDGRRAGAPFGPGANPMHGRDQKGAVASLTSVAKLPFAYAKDGISYTFSIVPNALGKDDEVRKTNLAGLMDGYFHHEASIEGGQHLNVNVMNREMLLDAMENPEKYPQLTIRVSGYAVRFNSLTKEQQQDVITRTFTQSM

Entity 2 non-polymer

description	CARBONATE ION
formula_weight	60.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	740

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6. Citations (1)

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length_a	159.059 Å
length_b	159.059 Å
length_c	159.784 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.300 Å
resolution_low	50.000 Å
r_factor	0.2160
r_work	0.2160
r_free	0.2510

fit	/app/data/saxs_computation/cm/1cm5/1cm5.fit
pddf	/app/data/pr_computation/cm/1cm5/1cm5.pr.out
profile	/app/data/saxs_computation/cm/1cm5/1cm5.dat

CRYSTAL STRUCTURE OF C418A,C419A MUTANT OF PFL FROM E.COLI

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction