4KAM
X-ray crystal structure of O-acetylhomoserine sulfhydrylase MetC from Mycobacterium marinum ATCC BAA-535 / M
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.670, 109.100, 98.630 |
| Unit cell angles | 90.00, 98.59, 90.00 |
Refinement procedure
| Resolution | 47.650 - 2.000 |
| R-factor | 0.16236 |
| Rwork | 0.161 |
| R-free | 0.19692 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ctz |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.587 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 119472 | |
| <I/σ(I)> | 15.2 | 3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | JCSG H7: 0.2M ammonium sulfate, 25% PEG 3350, Bis-tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
