3X0M
ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESM-state at reaction time of 3 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 | 49.722, 49.722, 118.783 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.150 |
R-factor | 0.132 |
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] | 20.000 | 20.000 | 1.170 |
High resolution limit [Å] | 1.150 | 3.120 | 1.150 |
Number of reflections | 60829 | ||
Completeness [%] | 99.1 | 99.4 | 96.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | ES100=0.24M Acetate-Sodium acetate buffer, 0.32M Ammonium sulfate, 30%(w/v) Glycerol, 9%(w/v) PEG 20000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | ES100=0.24M Acetate-Sodium acetate buffer, 0.32M Ammonium sulfate, 30%(w/v) Glycerol, 9%(w/v) PEG 20000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |