2ZZ7
Orotidine Monophosphate Decarboxylase K72A mutant complexed with BMP (produced from 6-Iodo-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 | 2004-03-06 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0332 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.933, 103.290, 73.533 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.640 - 1.580 |
R-factor | 0.15251 |
Rwork | 0.152 |
R-free | 0.17080 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | ODCase from M. thermoautotrophicum |
RMSD bond length | 0.016 |
RMSD bond angle | 1.609 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 1.610 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.057 | 0.301 |
Number of reflections | 30641 | |
<I/σ(I)> | 33.2 | 7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.3 |
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 |