4AO5
B. subtilis prophage dUTPase YosS in complex with dUMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-28 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.820, 100.010, 99.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.650 - 1.600 |
R-factor | 0.15347 |
Rwork | 0.150 |
R-free | 0.21365 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xcd |
RMSD bond length | 0.009 |
RMSD bond angle | 1.446 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.800 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.080 | 0.600 |
Number of reflections | 131522 | |
<I/σ(I)> | 7.8 | 2.1 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 5.9 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 14% PEG 3350, 0.1 M SODIUM MALONATE, 0.1 M, BIS-TRIS PROPANE PH 7.5 |