2QAF
Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-iodo-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 | 2007-02-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.90020 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 80.920, 83.849, 89.869 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.300 - 1.950 |
R-factor | 0.17453 |
Rwork | 0.172 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q8l |
RMSD bond length | 0.010 |
RMSD bond angle | 1.633 |
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] | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.102 | 0.492 |
Number of reflections | 41322 | |
<I/σ(I)> | 9.1 | 2.3 |
Completeness [%] | 95.4 | 98 |
Redundancy | 4.7 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 30% PEG 1000, 100mM Ammonium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |