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1de5

L-RHAMNOSE ISOMERASE

Method: X-RAY DIFFRACTION D_max: 99.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1de5
deposition_date	1999-11-12
title	L-RHAMNOSE ISOMERASE
keywords	(BETA8/ALPHA8) BARREL, TIM BARREL, HYDRIDE SHIFT, ISOMERASE; ISOMERASE
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	33.88 Å
rg_electron	32.86 Å
i0	554891000.00
molecular_weight	188640.0 kDa
excluded_volume	234840 Å³
envelope_volume	268930 Å³
shell_volume	63468 Å³
envelope_diameter	104.8 Å
shell_rg	42.98 Å
envelope_rg	32.79 Å
shape_rg	32.86 Å
total_rg	33.49 Å
total_atoms	13291
n_residues	1665
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	99.8 Å
rg_real	33.63 Å
rg_real_error	0.53 Å
i0_real	5.5490e+08
i0_real_error	8.1450e+06
rg_reciprocal	33.78 Å
i0_reciprocal	555000000.0000
total_estimate	0.9049
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	46.7 Å
skewness	0.027
kurtosis	-0.576
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	292300000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.944; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.966

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	L-RHAMNOSE ISOMERASE
formula_weight	48170.3 kDa
ec_number	5.3.1.14
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	14315

GHHHHHHMTTQLEQAWELAKQRFAAVGIDVEEALRQLDRLPVSMHCWQGDDVSGFENPEGSLTGGIQATGNYPGKARNASELRADLEQAMRLIPGPKRLNLHAIYLESDTPVSRDQIKPEHFKNWVEWAKANQLGLDFNPSCFSHPLSADGFTLSHADDSIRQFWIDHCKASRRVSAYFGEQLGTPSVMNIWIPDGMKDITVDRLAPRQRLLAALDEVISEKLNPAHHIDAVESKLFGIGAESYTVGSNEFYMGYATSRQTALCLDAGHFHPTEVISDKISAAMLYVPQLLLHVSRPVRWDSDHVVLLDDETQAIASEIVRHDLFDRVHIGLDFFDASINRIAAWVIGTRNMKKALLRALLEPTAELRKLEAPGDYTARLALLEEQKSLPWQAVWEMYCQRHDTPAGSEWLESVRAYEKEILSRRG

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	L-RHAMNITOL
formula_weight	166.2 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1024

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6. Citations (1)

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length_a	169.442 Å
length_b	162.693 Å
length_c	77.022 Å
angle_alpha	90.00 °
angle_beta	110.68 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.200 Å
resolution_low	15.000 Å
r_factor	0.1560
r_work	0.1560
r_free	0.2750

fit	/app/data/saxs_computation/de/1de5/1de5.fit
pddf	/app/data/pr_computation/de/1de5/1de5.pr.out
profile	/app/data/saxs_computation/de/1de5/1de5.dat

L-RHAMNOSE ISOMERASE

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