2X92
Crystal structure of AnCE-ramiprilat complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-09 |
Detector | ADSC CCD |
Spacegroup name | H 3 |
Unit cell lengths | 173.169, 173.169, 103.601 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.620 - 2.110 |
R-factor | 0.1914 |
Rwork | 0.190 |
R-free | 0.21848 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.002 |
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 | 2.180 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.150 | 0.450 |
Number of reflections | 66944 | |
<I/σ(I)> | 8.2 | 2 |
Completeness [%] | 94.5 | 80 |
Redundancy | 4.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.5 |