5X8A
Crystal structure of ATP bound 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 | 2012-09-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.670, 81.290, 122.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.430 - 2.510 |
R-factor | 0.22358 |
Rwork | 0.222 |
R-free | 0.25860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x7j |
RMSD bond length | 0.007 |
RMSD bond angle | 1.154 |
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] | 28.430 | 2.610 |
High resolution limit [Å] | 2.510 | 2.510 |
Number of reflections | 13363 | |
<I/σ(I)> | 11.2 | |
Completeness [%] | 95.3 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 295 | 0.2M MgCl2.6H2O, 0.1 M Tris hydrochloride, 30% PEG 4000 |