4C2N
Crystal structure of human testis angiotensin-I converting enzyme mutant E403R
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-10 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.103, 84.207, 133.174 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.650 - 2.590 |
R-factor | 0.21041 |
Rwork | 0.208 |
R-free | 0.26310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o8a |
RMSD bond length | 0.005 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.600 | 2.730 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.120 | 0.640 |
Number of reflections | 19365 | |
<I/σ(I)> | 10.1 | 2.2 |
Completeness [%] | 96.0 | 92.1 |
Redundancy | 4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 0.1M MIB BUFFER PH4.0, 10UM ZINC SULFATE, 5% GLYCEROL, 15% PEG3350 |