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 |