6NPR
Crystal structure of H-2Dd with C84-C139 disulfide in complex with gp120 derived peptide P18-I10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 63 |
Detector technology | PIXEL |
Collection date | 2018-11-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 66.990, 105.330, 117.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.362 - 2.370 |
R-factor | 0.1817 |
Rwork | 0.178 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qo3 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.978 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.362 | 2.460 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.130 | 0.660 |
Number of reflections | 34489 | 3576 |
<I/σ(I)> | 13.2 | 4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.6 | 11.8 |
CC(1/2) | 0.990 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M Ammonium acetate, 0.1M Bis-Tris (5.5) and 25%PEG 3350 |