4AA1
Crystal structure of ANCE in complex with Angiotensin-II
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 | 2010-05-09 |
Detector | ADSC CCD |
Spacegroup name | H 3 |
Unit cell lengths | 173.414, 173.414, 102.245 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.570 - 1.990 |
R-factor | 0.18948 |
Rwork | 0.188 |
R-free | 0.21072 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x8y |
RMSD bond length | 0.007 |
RMSD bond angle | 0.986 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.060 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.050 | 0.230 |
Number of reflections | 78501 | |
<I/σ(I)> | 19 | 4 |
Completeness [%] | 98.4 | 91.9 |
Redundancy | 3.1 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M HEPES 7.5, 1.3 M SODIUM CITRATE |