2J4Q
Crystal structure of a E138A Escherichia coli dCTP deaminase mutant enzyme in complex with dTTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-12-11 |
Detector | MARRESEARCH |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 61.594, 61.594, 344.766 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.25 |
Rwork | 0.247 |
R-free | 0.30200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xs1 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.716 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0001) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.140 | 0.520 |
Number of reflections | 12085 | |
<I/σ(I)> | 21.9 | 2.6 |
Completeness [%] | 92.7 | 70 |
Redundancy | 12.2 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.8 | VAPOUR DIFFUSION, 34% PEG400, 0.2M MAGNESIUM CHLORIDE, 0.1M HEPES PH6.8, 5MM DCTP |