4JZT
Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH (E68A mutant) bound to GTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-30 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93340 |
Spacegroup name | P 63 |
Unit cell lengths | 117.652, 117.652, 55.605 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.810 - 2.900 |
R-factor | 0.2151 |
Rwork | 0.214 |
R-free | 0.24510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | STRUCTURE OF BSRPPH E68A |
RMSD bond length | 0.007 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.810 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.071 | 0.692 |
Number of reflections | 9913 | |
<I/σ(I)> | 26.3 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.3 | 293 | 1.9 M ammonium sulfate, 0.1 M Tris pH 8.3, 10 mM TCEP, vapor diffusion, temperature 293K |