2ZZ3
Covalent complex of orotidine monophosphate decarboxylase D70A mutant from M. thermoautotrophicus with 6-cyano-UMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Detector technology | CCD |
| Collection date | 2004-03-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.076, 73.769, 59.152 |
| Unit cell angles | 90.00, 119.40, 90.00 |
Refinement procedure
| Resolution | 22.190 - 1.800 |
| Rwork | 0.162 |
| R-free | 0.19100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1x1z |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 38640 | |
| <I/σ(I)> | 18.3 | 3 |
| Completeness [%] | 87.9 | 57 |
| Redundancy | 3.62 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 1.2-1.36M Sodium Citrate, 5% dioxiane, pH 6.0-8.5, VAPOR DIFFUSION, temperature 298K |
