6PX5
CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK
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 | 2012-11-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 100.134, 100.134, 118.679 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.020 - 2.400 |
| R-factor | 0.2263 |
| Rwork | 0.223 |
| R-free | 0.28210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e6p |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.714 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | 0.396 |
| Number of reflections | 25684 | 1287 |
| <I/σ(I)> | 15.7 | 2.6 |
| Completeness [%] | 94.1 | 96.2 |
| Redundancy | 7.6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10 mM zinc sulfate, 100 mM MES, pH 6.5, 25% PEG 550 MME |
