4AND
CRYSTAL FORM II OF THE D93N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 108.419, 108.419, 108.419 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.295 - 2.808 |
| R-factor | 0.2215 |
| Rwork | 0.220 |
| R-free | 0.25160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k44 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.765 |
| 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] | 26.300 | 2.950 |
| High resolution limit [Å] | 2.810 | 2.810 |
| Rmerge | 0.080 | 0.350 |
| Number of reflections | 10722 | |
| <I/σ(I)> | 23.6 | 5.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 2.0 M AMMONIUM SULFATE, 2% (V/V) PEG400, 0.1 M HEPES, PH 7.5 |
