4APJ
Human angiotensin-converting enzyme in complex with BPPb
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 | 2012-02-09 |
Detector | DECTRIS PILATUS-2M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.870, 85.280, 133.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.820 - 2.600 |
R-factor | 0.21723 |
Rwork | 0.215 |
R-free | 0.25611 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o8a |
RMSD bond length | 0.006 |
RMSD bond angle | 0.976 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.820 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.130 | 0.480 |
Number of reflections | 20038 | |
<I/σ(I)> | 10.4 | 3.5 |
Completeness [%] | 97.7 | 97.2 |
Redundancy | 4.8 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.7 | 50MM SODIUM ACETATE PH 4.7, 15% PEG4000, 10UM ZNSO4 |