3LV8
1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 112.973, 112.973, 112.973 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.16611 |
Rwork | 0.164 |
R-free | 0.20393 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tmk |
RMSD bond length | 0.011 |
RMSD bond angle | 1.494 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.071 | 0.426 |
Number of reflections | 23299 | |
<I/σ(I)> | 28.3 | 3.8 |
Completeness [%] | 99.5 | 95.3 |
Redundancy | 10 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 7mg/mL protein; The PACT Suite condition #47 (D11), pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |