4ANC
CRYSTAL FORM I 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] | 107 |
| Detector technology | CCD |
| Collection date | 2006-07-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 110.679, 110.679, 110.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.844 - 2.800 |
| R-factor | 0.2144 |
| Rwork | 0.213 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k44 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.653 |
| 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] | 26.900 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.090 | 0.430 |
| Number of reflections | 6145 | |
| <I/σ(I)> | 31.6 | 7.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 20.5 | 21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 2.0 M AMMONIUM SULFATE, 0.1 M TRIS-HCL, PH 8.5 |
