4JZS
Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH (E68A mutant)
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 | 116.920, 116.920, 55.580 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.430 - 2.200 |
R-factor | 0.2142 |
Rwork | 0.213 |
R-free | 0.24460 |
Structure solution method | SIRAS |
RMSD bond length | 0.009 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHARP |
Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.720 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.054 | 0.839 |
Number of reflections | 22172 | |
<I/σ(I)> | 20.8 | 2 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 5.6 |
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 |
2 | VAPOR DIFFUSION | 8.3 | 293 | 1.9 M ammonium sulfate, 0.1 M Tris pH 8.3, 10 mM TCEP, soaking in 500 mM NaI during 30s, vapor diffusion, temperature 293K |