3X0S
ADP ribose pyrophosphatase from Thermus thermophilus HB8 in E'-state at reaction time of 50 min
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 49.700, 49.700, 118.569 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.100 |
R-factor | 0.145 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3x0i |
RMSD bond length | 0.017 |
RMSD bond angle | 2.360 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.140 |
High resolution limit [Å] | 1.100 | 2.450 | 1.100 |
Number of reflections | 69805 | ||
Completeness [%] | 99.8 | 99.7 | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.24M Acetate-Sodium acetate buffer, 0.32M Ammonium sulfate, 30%(w/v) Glycerol, 6%(w/v) PEG 20000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 100K, temperature 298K |