2ZZ5
Orotidine Monophosphate Deacarboxylase D70A/K72A double mutant from M. thermoautotrophicum complexed with 6- cyano-UMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Detector technology | CCD |
Collection date | 2006-12-05 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.556, 64.359, 61.539 |
Unit cell angles | 90.00, 115.52, 90.00 |
Refinement procedure
Resolution | 55.560 - 1.560 |
R-factor | 0.16118 |
Rwork | 0.160 |
R-free | 0.18679 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e6y |
RMSD bond length | 0.021 |
RMSD bond angle | 1.793 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Number of reflections | 50081 | |
<I/σ(I)> | 9.9 | 1.4 |
Completeness [%] | 83.9 | 30.2 |
Redundancy | 3.6 |
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 |