4CA5
Human Angiotensin converting enzyme in complex with a phosphinic tripeptide FI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-24 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.430, 84.980, 133.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.750 - 1.850 |
R-factor | 0.18222 |
Rwork | 0.181 |
R-free | 0.21344 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xy9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.216 |
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] | 71.750 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.090 | 0.420 |
Number of reflections | 52682 | |
<I/σ(I)> | 9.9 | 2.4 |
Completeness [%] | 94.9 | 94.4 |
Redundancy | 4 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 0.1M MIB PH4.0, 10UM ZINC SULPHATE, 5% GLYCEROL, 15% PEG3350 |