4L27
Crystal structure of delta1-39 and delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag
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 | P 65 |
Unit cell lengths | 190.454, 190.454, 140.847 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.622 - 3.391 |
R-factor | 0.2075 |
Rwork | 0.206 |
R-free | 0.24360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4LOD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.128 |
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] | 57.000 | 3.510 |
High resolution limit [Å] | 3.391 | 3.391 |
Rmerge | 0.112 | 1.300 |
Number of reflections | 40186 | |
<I/σ(I)> | 15.71 | 1.99 |
Completeness [%] | 99.7 | 97.25 |
Redundancy | 8.61 | 8.27 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2 M ammonium citrate tribasic, 0.1 M imidazole, 20% w/v PEG2000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |