1M54
CYSTATHIONINE-BETA SYNTHASE: REDUCED VICINAL THIOLS
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.7401, 1.7372 |
| Spacegroup name | P 1 |
| Unit cell lengths | 85.740, 85.626, 97.082 |
| Unit cell angles | 102.01, 101.53, 112.60 |
Refinement procedure
| Resolution | 50.000 - 2.900 |
| Rwork | 0.271 |
| R-free | 0.34800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jbq |
| RMSD bond length | 0.011 |
| RMSD bond angle | 23.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.140 | 0.459 |
| Total number of observations | 628994 * | |
| Number of reflections | 53028 * | |
| <I/σ(I)> | 9.2 | 3 |
| Completeness [%] | 93.8 * | 93.2 * |
| Redundancy | 12 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 25 * | PEG 10K, Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 323K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 45 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 0.1 (M) | pH8.0 |
| 3 | 1 | reservoir | PEG10000 | 18-22 (%) | |
| 4 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.0 |
