3LKQ
Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1977 strain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-11 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.330, 81.990, 110.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.830 - 1.800 |
R-factor | 0.199 |
Rwork | 0.198 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fyy |
RMSD bond length | 0.012 |
RMSD bond angle | 1.303 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.830 | 1.900 | |
High resolution limit [Å] | 1.800 | 10.000 | 1.800 |
Rmerge | 0.070 | 0.022 | 0.554 |
Number of reflections | 43813 | 252 | 6526 |
<I/σ(I)> | 17.57 | 45.1 | 3.4 |
Completeness [%] | 99.6 | 81.6 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 15-25% PEG 4000, 0.2M NH4Acetate, 0.1M Na-Citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K |