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 |
