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 |