4BZR
Human testis angiotensin converting enzyme in complex with K-26
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 | 2010-07-01 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.250, 84.505, 133.481 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.370 - 1.840 |
R-factor | 0.2161 |
Rwork | 0.214 |
R-free | 0.25182 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o8a |
RMSD bond length | 0.007 |
RMSD bond angle | 1.040 |
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] | 70.000 | |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.120 | 0.650 |
Number of reflections | 55751 | |
<I/σ(I)> | 10.2 | 1.2 |
Completeness [%] | 93.3 | 65.4 |
Redundancy | 2.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.7 | 50MM SODIUM ACETATE PH 4.7, 16% PEG4000, 10UM ZNSO4 |