2YDM
Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue of captopril
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 | 2011-02-20 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.143, 84.533, 132.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 132.270 - 2.440 |
R-factor | 0.21684 |
Rwork | 0.214 |
R-free | 0.26261 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o8a |
RMSD bond length | 0.013 |
RMSD bond angle | 1.420 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 132.300 | 2.600 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.090 | 0.620 |
Number of reflections | 23627 | |
<I/σ(I)> | 12.3 | 2.2 |
Completeness [%] | 97.4 | 83.6 |
Redundancy | 5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.7 | 100MM SODIUM ACETATE, 10UM ZINC SULPHATE, 15% PEG4000, pH 4.7 |