2YAY
The Crystal Structure of Leishmania major dUTPase in complex with substrate analogue dUpNpp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-03 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 86.830, 86.830, 145.280 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.420 - 1.860 |
R-factor | 0.21611 |
Rwork | 0.214 |
R-free | 0.24852 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cje |
RMSD bond length | 0.013 |
RMSD bond angle | 1.469 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.400 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.050 | 0.910 |
Number of reflections | 25978 | |
<I/σ(I)> | 30.1 | 2.6 |
Completeness [%] | 99.0 | 99 |
Redundancy | 17.1 | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M CACL2, 0.1 M MES PH 6.0, 20% PEG 6000. |