3REW
Crystal structure of an lmp2a-derived peptide bound to human class i mhc hla-a2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-29 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.750, 141.440, 141.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.110 - 1.900 |
R-factor | 0.209 |
Rwork | 0.208 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bd2 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.337 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.095 | 0.485 |
Number of reflections | 79598 | |
<I/σ(I)> | 5.803 | 1.5 |
Completeness [%] | 99.8 | |
Redundancy | 4.4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 22% PEG 3350, 0.2M AMMONIUM IODIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |