3S9Y
Crystal Structure of P. falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP in space group P21, produced from 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 | P 1 21 1 |
Unit cell lengths | 85.592, 82.905, 91.730 |
Unit cell angles | 90.00, 90.93, 90.00 |
Refinement procedure
Resolution | 25.990 - 1.700 |
R-factor | 0.16541 |
Rwork | 0.163 |
R-free | 0.20122 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q8l |
RMSD bond length | 0.012 |
RMSD bond angle | 1.494 |
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 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.066 | 0.487 |
Number of reflections | 135063 | |
<I/σ(I)> | 9.2 | 2.69 |
Completeness [%] | 99.5 | 98.9 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | PEG1000, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |