3KPM
Crystal Structure of HLA B*4402 in complex with EEYLKAWTF, a mimotope
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.705, 81.868, 109.814 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.650 - 1.600 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1syv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.202 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.067 | 0.036 | 0.472 |
Number of reflections | 57027 | ||
<I/σ(I)> | 21.4 | ||
Completeness [%] | 93.4 | 71.7 | 99 |
Redundancy | 3.8 | 3.1 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K |