4C2P
Crystal structure of human testis angiotensin-I converting enzyme mutant R522K in complex with captopril
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 | 2010-07-18 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.140, 84.650, 135.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.740 - 1.990 |
| R-factor | 0.21303 |
| Rwork | 0.211 |
| R-free | 0.24670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o8a |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.957 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.800 | 2.100 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.100 | 0.450 |
| Number of reflections | 40767 | |
| <I/σ(I)> | 12.4 | 3.7 |
| Completeness [%] | 89.2 | 80.9 |
| Redundancy | 5.4 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 0.1M MIB BUFFER PH4.0, 10UM ZINC SULFATE, 5% GLYCEROL, 15% PEG3350 |
