2XYD
human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-23 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.837, 76.437, 82.954 |
| Unit cell angles | 89.11, 64.43, 75.87 |
Refinement procedure
| Resolution | 40.280 - 2.150 |
| R-factor | 0.22174 |
| Rwork | 0.220 |
| R-free | 0.25589 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nxq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.160 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.070 | 0.480 |
| Number of reflections | 84896 | |
| <I/σ(I)> | 14.1 | 2.4 |
| Completeness [%] | 97.0 | 95 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000 |
