4ITX
P113S mutant of E. coli Cystathionine beta-lyase MetC inhibited by reaction with L-Ala-P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-10-24 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.970, 153.126, 150.835 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.400 - 1.610 |
| R-factor | 0.16325 |
| Rwork | 0.162 |
| R-free | 0.19532 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cl1 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.020 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.400 | 1.690 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Number of reflections | 89828 | |
| Completeness [%] | 99.9 | 93.7 |
| Redundancy | 11.6 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 20% PEG400, 0.15M CACL2, 0.1 M HEPES/NAOH (PH 8.2), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
