CRYSTAL STRUCTURE OF A DIELS-ALDERASE CATALYTIC ANTIBODY 1E9 IN COMPLEX WITH ITS HAPTEN

entry_id	1c1e
deposition_date	1999-07-22
title	CRYSTAL STRUCTURE OF A DIELS-ALDERASE CATALYTIC ANTIBODY 1E9 IN COMPLEX WITH ITS HAPTEN
keywords	CATALYTIC ANTIBODY, DIELS-ALDER, IMMUNOGLOBULIN, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	25.78 Å
rg_electron	24.67 Å
i0	38842600.00
molecular_weight	47969.0 kDa
excluded_volume	59813 ų
envelope_volume	73177 ų
shell_volume	24873 ų
envelope_diameter	77.8 Å
shell_rg	31.89 Å
envelope_rg	24.28 Å
shape_rg	24.66 Å
total_rg	25.54 Å
total_atoms	3368
n_residues	435
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	80.8 Å
rg_real	25.74 Å
rg_real_error	0.44 Å
i0_real	3.8840e+07
i0_real_error	5.0720e+05
rg_reciprocal	25.76 Å
i0_reciprocal	38840000.0000
total_estimate	0.9113
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	28.7 Å
skewness	0.222
kurtosis	-0.627
angular_range	— – 0.3100 Å−1
current_alpha	0.0000
highest_alpha	7233000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.964; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.963

Unit Cell

length_a	44.730 Å
length_b	132.440 Å
length_c	167.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

Refinement

resolution	1.900 Å
resolution_low	20.000 Å
r_factor	0.2500
r_work	0.2390
r_free	0.2940

Diffraction

temperature

97.2 K

Files (7)

• pr_distribution /app/data/pr_computation/c1/1c1e/pr_distribution.json
• pr_output /app/data/pr_computation/c1/1c1e/1c1e.pr.out
• pr_plot /app/data/visualization/pr_computation/c1/1c1e/1c1e_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/c1/1c1e/1c1e.dat
• saxs_fit /app/data/saxs_computation/c1/1c1e/1c1e.fit
• saxs_log /app/data/saxs_computation/c1/1c1e/1c1e.log
• saxs_plot /app/data/visualization/saxs_computation/c1/1c1e/1c1e_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/c1/1c1e/1c1e.fit
pddf	/app/data/pr_computation/c1/1c1e/1c1e.pr.out
profile	/app/data/saxs_computation/c1/1c1e/1c1e.dat