2WUE
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with HOPODA
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 | 36.340 - 1.800 |
| Rwork | 0.194 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wud |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.716 |
| 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] | 40.660 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.410 |
| Number of reflections | 55043 | |
| <I/σ(I)> | 16 | 3.1 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 200MM KSCN, 24% PET 3350, 100MM BIS-TRIS PROPANE PH7.0 |
