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1e6c

K15M MUTANT OF SHIKIMATE KINASE FROM ERWINIA CHRYSANTHEMI

Method: X-RAY DIFFRACTION D_max: 63.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e6c
deposition_date	2000-08-10
title	K15M MUTANT OF SHIKIMATE KINASE FROM ERWINIA CHRYSANTHEMI
keywords	MUTANT SHIKIMATE KINASE, PHOSPHORYL TRANSFER, ADP, SHIKIMATE PATHWAY, P-LOOP PROTEIN, TRANSFERASE; 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	21.04 Å
rg_electron	20.04 Å
i0	26183800.00
molecular_weight	38281.0 kDa
excluded_volume	47614 Å³
envelope_volume	56284 Å³
shell_volume	23107 Å³
envelope_diameter	64.2 Å
shell_rg	26.82 Å
envelope_rg	20.11 Å
shape_rg	20.07 Å
total_rg	20.80 Å
total_atoms	2670
n_residues	340
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	63.1 Å
rg_real	20.89 Å
rg_real_error	0.28 Å
i0_real	2.6180e+07
i0_real_error	2.8890e+05
rg_reciprocal	20.92 Å
i0_reciprocal	26180000.0000
total_estimate	0.9084
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.4 Å
skewness	0.113
kurtosis	-0.529
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	9856000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.946; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	SHIKIMATE KINASE
formula_weight	18993.8 kDa
ec_number	2.7.1.71
mutation	YES
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2968

MTEPIFMVGARGCGMTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQAVATPNRVVATGGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRLQASLQAHQRPTLTGRPIAEEMEAVLREREALYQDVAHYVVDATQPPAAIVCELMQTMRLPAA

Source

organism	ERWINIA CHRYSANTHEMI
ncbi_taxonomy_id	556
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	5

Entity 5 non-polymer

description	(4R)-2-METHYLPENTANE-2,4-DIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	214

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6. Citations (2)

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length_a	42.860 Å
length_b	106.940 Å
length_c	42.750 Å
angle_alpha	90.00 °
angle_beta	119.96 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.800 Å
resolution_low	25.000 Å
r_factor	—
r_work	0.1880
r_free	0.2270

fit	/app/data/saxs_computation/e6/1e6c/1e6c.fit
pddf	/app/data/pr_computation/e6/1e6c/1e6c.pr.out
profile	/app/data/saxs_computation/e6/1e6c/1e6c.dat