3AKC
Crystal structure of CMP kinase in complex with CDP and ADP from Thermus thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2006-07-19 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 65 |
Unit cell lengths | 62.206, 62.206, 110.951 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.650 - 1.650 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cmk |
RMSD bond length | 0.019 |
RMSD bond angle | 2.000 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.640 | 1.650 |
Rmerge | 0.067 | 0.287 |
Number of reflections | 28624 | |
<I/σ(I)> | 38.2 | 3.4 |
Completeness [%] | 97.7 | 84.4 |
Redundancy | 9.2 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M BIS-TRIS propane, 3.5M sodium formate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |