3NDN
Crystal structure of O-succinylhomoserine sulfhydrylase from Mycobacterium tuberculosis covalently bound to pyridoxal-5-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.950, 129.560, 95.960 |
| Unit cell angles | 90.00, 115.35, 90.00 |
Refinement procedure
| Resolution | 19.700 - 1.850 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y4i |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.322 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 | |
| High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
| Rmerge | 0.062 | 0.027 | 0.529 |
| Number of reflections | 153275 | 1648 | 11304 |
| <I/σ(I)> | 13.56 | 33.5 | 2.5 |
| Completeness [%] | 99.4 | 91.7 | 99.6 |
| Redundancy | 4.4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 26.9 mg/mL protein against JCSG+ condition A2, 25% PEG 3000, 0.1 M citrate pH 5.5, crystal tracking ID 215797a2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
