2X93
Crystal structure of AnCE-trandolaprilat 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 | 172.861, 172.861, 103.250 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.760 - 1.980 |
R-factor | 0.19056 |
Rwork | 0.190 |
R-free | 0.20665 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.999 |
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 | 2.050 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.080 | 0.260 |
Number of reflections | 80566 | |
<I/σ(I)> | 9.6 | 3.7 |
Completeness [%] | 96.9 | 87.9 |
Redundancy | 2.4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.5 |