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 |
