3QEO
S74E-R104M-D133A dCK variant in complex with L-deoxythymidine and UDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 93 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 |
Unit cell lengths | 68.760, 68.760, 120.597 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.680 - 1.897 |
R-factor | 0.19951 |
Rwork | 0.195 |
R-free | 0.24396 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p5z |
RMSD bond length | 0.013 |
RMSD bond angle | 1.538 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 68.680 |
High resolution limit [Å] | 1.897 |
Number of reflections | 44080 |
Completeness [%] | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | 9 mg/ml protein was mixed with 0.9-1.5M trisodium citrate di-hydrate and 100 mM Tris, pH 7.5, VAPOR DIFFUSION, temperature 298K |