1XS4
dCTP deaminase from Escherichia coli- E138A mutant enzyme in complex with dCTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-09-12 |
Detector | MARRESEARCH |
Wavelength(s) | 0.969 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.272, 97.882, 95.116 |
Unit cell angles | 90.00, 109.23, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.530 |
R-factor | 0.18689 |
Rwork | 0.185 |
R-free | 0.22541 |
Structure solution method | combination of SAD and MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ogh |
RMSD bond length | 0.020 |
RMSD bond angle | 1.660 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.590 |
High resolution limit [Å] | 2.530 | 2.530 |
Number of reflections | 37005 | |
<I/σ(I)> | 25.6 | 12.5 |
Completeness [%] | 98.5 | 78.2 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG 400, magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |