2X94
Crystal structure of AnCE-perindoprilat complex
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 | 2009-09-15 |
Detector | ADSC CCD |
Spacegroup name | H 3 |
Unit cell lengths | 173.130, 173.130, 102.288 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.720 - 1.880 |
R-factor | 0.19476 |
Rwork | 0.194 |
R-free | 0.21264 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.983 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.100 | 0.440 |
Number of reflections | 92711 | |
<I/σ(I)> | 7.7 | 1.4 |
Completeness [%] | 96.7 | 81 |
Redundancy | 2.3 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.5 |