2FFC
Crystal Structure of Plasmodium Vivax Orotidine-Monophosphate-Decarboxyl UMP Bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-05 |
Detector | SBC-3 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.817, 69.588, 59.338 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.18825 |
Rwork | 0.187 |
R-free | 0.23444 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aqw |
RMSD bond length | 0.017 |
RMSD bond angle | 1.585 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (V. 1.3.1) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.720 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.052 | 0.612 |
Number of reflections | 37109 | |
<I/σ(I)> | 10.2 | 1.6 |
Completeness [%] | 97.7 | 80.3 |
Redundancy | 6.8 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 296 | 30.0% PEG 4K, 0.2M NaOAc, 0.1M Tris HCl, VAPOR DIFFUSION, pH 8.5, temperature 296K |