4GIN
Crystal structure of the MUTB R284C mutant from crystals soaked with the inhibitor deoxynojirimycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9699 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.800, 89.700, 91.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.850 - 1.900 |
| R-factor | 0.144 |
| Rwork | 0.140 |
| R-free | 0.18060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zja |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.095 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.850 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.271 | |
| Number of reflections | 55036 | |
| <I/σ(I)> | 10.3 | 5.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 0.1M Tris-HCl, 12%(w/v) PEG20000, 0.01M L-Cysteine, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
