4MJI
T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-20 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 |
Unit cell lengths | 45.510, 88.870, 129.270 |
Unit cell angles | 102.91, 95.92, 90.09 |
Refinement procedure
Resolution | 64.750 - 2.990 |
R-factor | 0.2448 |
Rwork | 0.242 |
R-free | 0.30380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.713 |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.753 | 64.753 | 3.070 |
High resolution limit [Å] | 2.990 | 13.370 | 2.990 |
Rmerge | 0.090 | 0.363 | |
Rmeas | 0.097 | 0.424 | |
Rpim | 0.065 | 0.284 | |
Total number of observations | 891 | 5907 | |
Number of reflections | 39174 | ||
<I/σ(I)> | 4.8 | 6.9 | 2.5 |
Completeness [%] | 98.6 | 96.5 | 98.1 |
Redundancy | 2 | 2.1 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 291 | 20% PEG 3350, 0.2M NaSO4, 0.1M Bis-Tris Propane, pH 6.5, VAPOR DIFFUSION, temperature 291K |