2QJ3
Mycobacterium tuberculosis FabD
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.992,1.486 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 180.240, 180.240, 95.990 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.000 - 3.000 |
| R-factor | 0.22594 |
| Rwork | 0.224 |
| R-free | 0.26673 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.206 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.090 | 0.340 |
| Number of reflections | 18818 | |
| <I/σ(I)> | 22.2 | 7.8 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 13 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 10-12% PEG MME 2000, 0.1 M Tris-HCl pH 8.0-8.5, 5-10 mM NiCl2. , VAPOR DIFFUSION |
