6C2W
Crystal structure of human prothrombin mutant S101C/A470C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-11-17 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 85.030, 85.074, 153.801 |
Unit cell angles | 105.35, 90.00, 90.05 |
Refinement procedure
Resolution | 30.320 - 4.120 |
R-factor | 0.28085 |
Rwork | 0.278 |
R-free | 0.33298 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5EDM and 3NXP |
RMSD bond length | 0.009 |
RMSD bond angle | 1.177 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 4.170 |
High resolution limit [Å] | 4.100 | 4.100 |
Rmerge | 0.156 | 0.675 |
Number of reflections | 30018 | 1219 |
<I/σ(I)> | 5.7 | |
Completeness [%] | 91.7 | 74.1 |
Redundancy | 2.5 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 277 | 100 mM Bicine, pH 9.0 and 11% PEG 3350 |