6BXQ
Crystal Structure of HLA-B*57:01 with an HIV peptide RKV
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.977, 82.344, 110.744 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.130 - 1.580 |
R-factor | 0.178 |
Rwork | 0.177 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g9d |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.310 | 46.310 | 1.610 |
High resolution limit [Å] | 1.580 | 8.670 | 1.580 |
Rmerge | 0.085 | 0.057 | 0.811 |
Number of reflections | 64149 | 411 | 2928 |
<I/σ(I)> | 13.9 | ||
Completeness [%] | 99.6 | 89.7 | 93.7 |
Redundancy | 7.2 | 5.2 | 6.6 |
CC(1/2) | 0.998 | 0.991 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 18%PEG4000, 0.2M NH4 Ac, 0.1M NaCitrate |