2ORW
Thermotoga maritima thymidine kinase 1 like enzyme in complex with TP4A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.550, 59.630, 61.440 |
Unit cell angles | 90.00, 103.11, 90.00 |
Refinement procedure
Resolution | 28.000 - 1.500 |
R-factor | 0.173 |
Rwork | 0.169 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.778 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.000 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 55419 | |
<I/σ(I)> | 10.44 | 2.9 |
Completeness [%] | 95.8 | 88.7 |
Redundancy | 3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 65% 2-methyl-2,4-pentanediol (MPD), 0.1 M Na-Acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |