4NT6
HLA-C*0801 Crystal Structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2011-09-02 |
Detector | Bruker Platinum 135 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 94.401, 75.687, 61.880 |
Unit cell angles | 90.00, 120.29, 90.00 |
Refinement procedure
Resolution | 55.460 - 1.840 |
R-factor | 0.183 |
Rwork | 0.180 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qqd |
RMSD bond length | 0.013 |
RMSD bond angle | 1.597 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.460 | 1.880 |
High resolution limit [Å] | 1.790 | 1.840 |
Number of reflections | 35257 | |
<I/σ(I)> | 19.2 | 3.3 |
Completeness [%] | 66.6 | 89.9 |
Redundancy | 12.65 | 2.64 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.05M CALCIUM CHLORIDE DIHYDRATE, 0.1M BIS-TRIS, 30%(V/V) POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |