CRYSTAL STRUCTURE OF HLA-DR2 (DRA*0101,DRB1*1501) COMPLEXED WITH A PEPTIDE FROM HUMAN MYELIN BASIC PROTEIN

entry_id	1bx2
deposition_date	1998-10-12
title	CRYSTAL STRUCTURE OF HLA-DR2 (DRA*0101,DRB1*1501) COMPLEXED WITH A PEPTIDE FROM HUMAN MYELIN BASIC PROTEIN
keywords	HLA-DR2, MYELIN BASIC PROTEIN, MULTIPLE SCLEROSIS, AUTOIMMUNITY, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	29.05 Å
rg_electron	27.87 Å
i0	124836000.00
molecular_weight	88018.0 kDa
excluded_volume	110030 ų
envelope_volume	140180 ų
shell_volume	40735 ų
envelope_diameter	87.0 Å
shell_rg	36.26 Å
envelope_rg	27.38 Å
shape_rg	27.87 Å
total_rg	28.73 Å
total_atoms	6234
n_residues	768
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	86.5 Å
rg_real	28.86 Å
rg_real_error	0.29 Å
i0_real	1.2480e+08
i0_real_error	1.6000e+06
rg_reciprocal	28.95 Å
i0_reciprocal	124800000.0000
total_estimate	0.9091
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	37.7 Å
skewness	0.050
kurtosis	-0.590
angular_range	— – 0.2750 Å−1
current_alpha	0.0000
highest_alpha	16450000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.958; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.960

Unit Cell

length_a	95.403 Å
length_b	95.403 Å
length_c	295.219 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

Symmetry

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

Refinement

resolution	2.600 Å
resolution_low	20.000 Å
r_factor	0.2380
r_work	0.2380
r_free	0.2660

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bx/1bx2/pr_distribution.json
• pr_output /app/data/pr_computation/bx/1bx2/1bx2.pr.out
• pr_plot /app/data/visualization/pr_computation/bx/1bx2/1bx2_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bx/1bx2/1bx2.dat
• saxs_fit /app/data/saxs_computation/bx/1bx2/1bx2.fit
• saxs_log /app/data/saxs_computation/bx/1bx2/1bx2.log
• saxs_plot /app/data/visualization/saxs_computation/bx/1bx2/1bx2_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bx/1bx2/1bx2.fit
pddf	/app/data/pr_computation/bx/1bx2/1bx2.pr.out
profile	/app/data/saxs_computation/bx/1bx2/1bx2.dat