2ZZ4
Covalent complex of orotidine monophosphate decarboxylase D75N mutant from M. thermoautotrophicum with 6-cyano-UMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-07-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.040, 73.846, 59.227 |
| Unit cell angles | 90.00, 119.33, 90.00 |
Refinement procedure
| Resolution | 23.100 - 1.670 |
| Rwork | 0.158 |
| R-free | 0.18500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1x1z |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.800 |
| 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 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 48799 | |
| <I/σ(I)> | 37.3 | 9 |
| Completeness [%] | 96.5 | 93.5 |
| Redundancy | 7.5 |
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 |
