3SW6
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-azido-UMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.90020 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 58.118, 103.370, 73.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.500 |
R-factor | 0.16236 |
Rwork | 0.161 |
R-free | 0.18909 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dv7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.460 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.049 | 0.374 |
Number of reflections | 34615 | |
<I/σ(I)> | 13.4 | 3.57 |
Completeness [%] | 99.6 | 99.2 |
Redundancy | 5.6 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | Trisodium Citrate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |