4L3V
Crystal structure of delta516-525 human cystathionine beta-synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 227.750, 342.655, 107.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.516 - 3.628 |
R-factor | 0.2169 |
Rwork | 0.216 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4LOD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.165 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.8.1_1168) |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.516 | 3.750 |
High resolution limit [Å] | 3.628 | 3.628 |
Rmerge | 0.310 | 1.510 |
Number of reflections | 46253 | |
<I/σ(I)> | 7.25 | 2.28 |
Completeness [%] | 96.5 | 72.47 |
Redundancy | 2.44 | 2.37 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 30% v/v PEG550, 0.1 M sodium citrate tribasic dehydrate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |