1N5K
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE (RESOLUTION 2.1 A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.936 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 64.254, 64.254, 195.484 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.710 - 2.100 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gsi |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS (1.0) |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.730 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 27942 | |
<I/σ(I)> | 6.3 | 2.3 |
Completeness [%] | 98.9 | 100 |
Redundancy | 5.7 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.4 M sodium malonate, 2% PEG 2000, 0.1 M MES pH 6.0, 2 mM b-mercaptoethanol, 25 mM magnesium acetate, VAPOR DIFFUSION, HANGING DROP |