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 |
