;THE CRYSTAL STRUCTURE OF THE DISULFIDE-STABILIZED FV FRAGMENT OF ANTICANCER ANTIBODY B1: CONFORMATIONAL INFLUENCE OF AN ENGINEERED DISULFIDE BOND ;

entry_id	1dsf
deposition_date	1997-05-04
title	;THE CRYSTAL STRUCTURE OF THE DISULFIDE-STABILIZED FV FRAGMENT OF ANTICANCER ANTIBODY B1: CONFORMATIONAL INFLUENCE OF AN ENGINEERED DISULFIDE BOND ;
keywords	MONOCLONAL ANTIBODY, ANTITUMOR, IMMUNOGLOBULIN; IMMUNOGLOBULIN
method	X-RAY DIFFRACTION

rg_guinier	18.40 Å
rg_electron	17.40 Å
i0	11578800.00
molecular_weight	25416.0 kDa
excluded_volume	31782 ų
envelope_volume	35207 ų
shell_volume	17056 ų
envelope_diameter	57.6 Å
shell_rg	23.34 Å
envelope_rg	17.62 Å
shape_rg	17.36 Å
total_rg	18.43 Å
total_atoms	1789
n_residues	231
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	67.2 Å
rg_real	18.31 Å
rg_real_error	0.63 Å
i0_real	1.1580e+07
i0_real_error	1.5920e+05
rg_reciprocal	18.33 Å
i0_reciprocal	11580000.0000
total_estimate	0.7535
solution_quality	GOOD a GOOD solution
n_peaks	4
r_peak_primary	24.9 Å
skewness	0.185
kurtosis	-0.445
angular_range	— – 0.4300 Å−1
current_alpha	0.0000
highest_alpha	3422000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.626; Stabil: 0.982; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.000

Unit Cell

length_a	80.100 Å
length_b	80.100 Å
length_c	138.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

Symmetry

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

Refinement

resolution	2.000 Å
resolution_low	8.000 Å
r_factor	0.1820
r_work	0.1820
r_free	—

Diffraction

temperature

293.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ds/1dsf/pr_distribution.json
• pr_output /app/data/pr_computation/ds/1dsf/1dsf.pr.out
• pr_plot /app/data/visualization/pr_computation/ds/1dsf/1dsf_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ds/1dsf/1dsf.dat
• saxs_fit /app/data/saxs_computation/ds/1dsf/1dsf.fit
• saxs_log /app/data/saxs_computation/ds/1dsf/1dsf.log
• saxs_plot /app/data/visualization/saxs_computation/ds/1dsf/1dsf_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ds/1dsf/1dsf.fit
pddf	/app/data/pr_computation/ds/1dsf/1dsf.pr.out
profile	/app/data/saxs_computation/ds/1dsf/1dsf.dat