1XH3
Conformational Restraints and Flexibility of 14-Meric Peptides in Complex with HLA-B*3501
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-03 |
Detector | MARRESEARCH |
Wavelength(s) | 1.05 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.828, 81.663, 109.798 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.600 - 1.480 |
R-factor | 0.17979 |
Rwork | 0.178 |
R-free | 0.20820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a1n |
RMSD bond length | 0.013 |
RMSD bond angle | 1.491 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.600 | 1.560 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.061 | 0.452 |
Number of reflections | 72270 | |
<I/σ(I)> | 5.2 | 1.6 |
Completeness [%] | 93.7 | 92 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |