5D2N
Crystal structure of C25-NLV-HLA-A2 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-19 |
Detector | RAYONIX MX300HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.307, 124.874, 193.843 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.697 - 2.099 |
R-factor | 0.2046 |
Rwork | 0.204 |
R-free | 0.25270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mi5 3gso |
RMSD bond length | 0.014 |
RMSD bond angle | 1.264 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.099 | 5.700 | 2.100 |
Rmerge | 0.106 | 0.038 | |
Rmeas | 0.111 | 0.041 | |
Rpim | 0.044 | 0.015 | 0.466 |
Total number of observations | 837368 | ||
Number of reflections | 119186 | ||
<I/σ(I)> | 5.7 | ||
Completeness [%] | 99.3 | 99.8 | 98.6 |
Redundancy | 7 | 7.2 | 6.4 |
CC(1/2) | 0.999 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG3000, Imidazole, Calcium Acetate |