4XE4
Coagulation Factor XII protease domain crystal structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 137.060, 137.060, 37.011 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.570 - 2.400 |
| R-factor | 0.2218 |
| Rwork | 0.218 |
| R-free | 0.29504 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xde |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.963 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.570 | 2.480 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.069 | |
| Number of reflections | 15737 | |
| <I/σ(I)> | 11 | 2.2 |
| Completeness [%] | 98.4 | 99 |
| Redundancy | 5.6 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Hepes pH 7.5,1.6M Ammonium sulphate, 2%(w/v) PEG1000. |
