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 |