4HZH
Structure of recombinant Gla-domainless prothrombin mutant S525A
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 | 2012-04-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.584, 103.136, 149.549 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.300 |
| R-factor | 0.2963 |
| Rwork | 0.295 |
| R-free | 0.32878 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID code: 3NXP |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.225 |
| 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] | 40.000 | 3.720 | 3.360 |
| High resolution limit [Å] | 3.300 | 3.630 | 3.300 |
| Rmerge | 0.180 | 0.335 | 0.449 |
| Number of reflections | 19155 | ||
| <I/σ(I)> | 5.4 | 3.3 | 2.1 |
| Completeness [%] | 96.9 | 96.7 | 93.1 |
| Redundancy | 3.9 | 3.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 100 mM Tris-Hcl, pH 8.5 and 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
