3W90
Crystal structure of CMP kinase from Thermus thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45PX |
Synchrotron site | SPring-8 |
Beamline | BL45PX |
Temperature [K] | 90 |
Detector technology | IMAGE PLATE |
Collection date | 2003-11-03 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.727, 48.382, 110.034 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.290 - 1.650 |
Rwork | 0.214 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w8n |
RMSD bond length | 0.020 |
RMSD bond angle | 1.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.062 | 0.045 | 0.277 |
Number of reflections | 26020 | ||
<I/σ(I)> | 28.4 | ||
Completeness [%] | 99.9 | 99.1 | 99.6 |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 60mM sodium acetate, 40% ethylene glycol, 15% PEG1000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |