5C0D
HLA-A02 carrying AQWGPDPAAA
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 | 2009-11-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97630 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.840, 81.150, 56.190 |
Unit cell angles | 90.00, 112.32, 90.00 |
Refinement procedure
Resolution | 31.220 - 1.680 |
R-factor | 0.1737 |
Rwork | 0.172 |
R-free | 0.21430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3utq |
RMSD bond length | 0.018 |
RMSD bond angle | 1.825 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.15) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.221 | 31.221 | 1.720 |
High resolution limit [Å] | 1.680 | 7.510 | 1.680 |
Rmerge | 0.030 | 0.681 | |
Rmeas | 0.112 | ||
Rpim | 0.056 | 0.018 | 0.488 |
Total number of observations | 192943 | 2313 | 12608 |
Number of reflections | 49373 | ||
<I/σ(I)> | 8.7 | 23 | 1.5 |
Completeness [%] | 98.8 | 98.2 | 97.5 |
Redundancy | 3.9 | 4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M sodium malonate, 0.1M BIS TRIS propane, pH 6.5, 20% PEG3350 |