3X0Q
ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESMM-state at reaction time of 20 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 | 2010-01-31 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.7 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 49.604, 49.604, 118.830 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.140 |
R-factor | 0.153 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3x0i |
RMSD bond length | 0.017 |
RMSD bond angle | 2.520 |
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 | 1.160 |
High resolution limit [Å] | 1.140 | 3.090 | 1.140 |
Number of reflections | 63114 | ||
Completeness [%] | 99.9 | 99.2 | 99.6 |
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, 8%(w/v) PEG 20000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.24M Acetate-Sodium acetate buffer, 0.32M Ammonium sulfate, 30%(w/v) Glycerol, 8%(w/v) PEG 20000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |