4ANE
R80N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 107 |
| Detector technology | CCD |
| Collection date | 2007-06-25 |
| Detector | ADSC CCD |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 68.820, 113.340, 107.561 |
| Unit cell angles | 90.00, 106.40, 90.00 |
Refinement procedure
| Resolution | 29.651 - 1.900 |
| R-factor | 0.1869 |
| Rwork | 0.184 |
| R-free | 0.23480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k44 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.078 |
| 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] | 32.900 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.140 |
| Number of reflections | 57601 | |
| <I/σ(I)> | 7.8 | 3.6 |
| Completeness [%] | 92.9 | 83.7 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 30% (W/V) PEG4000, 0.2 M AMMONIUM ACETATE, 0.1 M TRI-SODIUM CITRATE, PH 5.6 |
