4XQ2
Ensemble refinement of cystathione gamma lyase (CalE6) D7G from Micromonospora echinospora
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 146.855, 146.981, 349.905 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.970 - 2.100 |
R-factor | 0.145 |
Rwork | 0.143 |
R-free | 0.18300 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.342 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((PHENIX.ENSEMBLE_REFINEMENT: DEV_1839)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.970 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.140 | 0.720 |
Number of reflections | 219087 | |
<I/σ(I)> | 12.23 | 2.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1M MES, 12%(w/v)20,000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |