5X7J
Crystal structure of thymidylate kinase from thermus thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-07-14 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.470, 80.210, 122.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.880 - 1.840 |
R-factor | 0.17831 |
Rwork | 0.176 |
R-free | 0.21996 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pbr |
RMSD bond length | 0.018 |
RMSD bond angle | 1.880 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.880 | 1.870 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.095 | |
Number of reflections | 34412 | 1060 |
<I/σ(I)> | 12.8 | |
Completeness [%] | 96.8 | |
Redundancy | 8.6 | |
CC(1/2) | 0.997 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 295 | 0.2M CaCl2.2H2O, 20% w/v, PEG 3350 |