2X90
Crystal structure of AnCE-enalaprilat complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Collection date | 2009-12-09 |
Spacegroup name | H 3 |
Unit cell lengths | 172.833, 172.833, 102.874 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.570 - 1.980 |
R-factor | 0.18862 |
Rwork | 0.187 |
R-free | 0.21381 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j38 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.987 |
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 | 0.300 |
Number of reflections | 80053 | |
<I/σ(I)> | 10 | 3.2 |
Completeness [%] | 98.2 | 93.5 |
Redundancy | 2.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.5 |