1JBQ
STRUCTURE OF HUMAN CYSTATHIONINE BETA-SYNTHASE: A UNIQUE PYRIDOXAL 5'-PHOSPHATE DEPENDENT HEMEPROTEIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-09-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9700 |
| Spacegroup name | P 31 |
| Unit cell lengths | 144.520, 144.520, 108.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.340 - 2.600 |
| R-factor | 0.257 |
| Rwork | 0.257 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d6s |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.076 * | 0.309 * |
| Number of reflections | 63971 | |
| <I/σ(I)> | 10 | 4 |
| Completeness [%] | 82.4 | 63.9 * |
| Redundancy | 3.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 293 | Janosik, M., (2001) Acta Crystallogr., Sect.D, 57, 289. * |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 293 | Janosik, M., (2001) Acta Crystallogr., Sect.D, 57, 289. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 26 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | |
| 3 | 1 | reservoir | PEG1000 | 30 (%) | |
| 4 | 1 | reservoir | HEPES | 80 (mM) | |
| 5 | 1 | reservoir | 0.4 (mM) |
