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 |