4CKZ
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 |
| Unit cell lengths | 38.420, 38.420, 132.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.000 - 2.520 |
| R-factor | 0.24169 |
| Rwork | 0.237 |
| R-free | 0.33557 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y71 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.081 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.650 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.160 | 0.440 |
| Number of reflections | 6028 | |
| <I/σ(I)> | 13.3 | 6.4 |
| Completeness [%] | 80.7 | 20.4 |
| Redundancy | 8.2 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.4 | 32% PEG 4000, 0.1 M NA CITRATE PH 5.4 |
