4COO
Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-22 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.264, 116.193, 167.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.560 - 2.000 |
R-factor | 0.17517 |
Rwork | 0.174 |
R-free | 0.20068 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jbq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.430 |
Data reduction software | XIA |
Data scaling software | XIA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.890 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.070 | 0.850 |
Number of reflections | 93295 | |
<I/σ(I)> | 15.1 | 2 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 4.5 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 18% PEG8000, 0.1 M CACODYLATE, PH 6.6 0.2 M SODIUM ACETATE |