2Y8C
Plasmodium falciparum dUTPase in complex with a trityl ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-04 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 41 |
Unit cell lengths | 77.160, 77.160, 110.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.900 - 2.100 |
R-factor | 0.1905 |
Rwork | 0.188 |
R-free | 0.24048 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vyq |
RMSD bond length | 0.020 |
RMSD bond angle | 2.258 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.900 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.070 | 0.530 |
Number of reflections | 35984 | |
<I/σ(I)> | 13 | 3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.1 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 3.3M AMMONIUM SULPHATE, 0.1M BIS-TRIS PH 6.0 |