4C2Q
Crystal structure of human testis angiotensin-I converting enzyme mutant R522K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.640, 85.040, 133.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.830 - 2.400 |
| R-factor | 0.19114 |
| Rwork | 0.188 |
| R-free | 0.24510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o8a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.249 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.800 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.130 | 0.670 |
| Number of reflections | 25732 | |
| <I/σ(I)> | 10.2 | 2.2 |
| Completeness [%] | 99.2 | 99 |
| Redundancy | 4.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 0.1M MIB BUFFER PH4.0, 10UM ZINC SULFATE, 5% GLYCEROL, 15% PEG3350 |
