2WUF
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with 4,9DSHA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-22 |
| Detector | ADSC CCD |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 111.883, 117.971, 180.893 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.590 - 1.900 |
| Rwork | 0.209 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wud |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.820 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.590 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.100 | 0.420 |
| Number of reflections | 46107 | |
| <I/σ(I)> | 9.9 | 2 |
| Completeness [%] | 98.4 | 99.3 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 200MM KSCN, 24% PEG 3350, 100MM BIS-TRIS PROPANE PH 7.0 |
