4H6T
Crystal structure of prethrombin-2 mutant E14eA/D14lA/E18A/S195A
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 | 2011-10-02 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 135.465, 135.465, 42.468 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.790 - 2.400 |
R-factor | 0.21385 |
Rwork | 0.212 |
R-free | 0.25307 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sqh |
RMSD bond length | 0.014 |
RMSD bond angle | 1.525 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (from ccp4) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 95.790 | 2.700 | 2.440 |
High resolution limit [Å] | 2.400 | 2.640 | 2.400 |
Rmerge | 0.070 | 0.325 | 0.440 |
Number of reflections | 16004 | ||
<I/σ(I)> | 21.3 | 4.4 | 2.9 |
Completeness [%] | 98.8 | 98 | 97.8 |
Redundancy | 8.7 | 5.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 295 | 0.2M KH2PO4 and 20% PEG 3350, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K |