1WPN
Crystal structure of the N-terminal core of Bacillus subtilis inorganic pyrophosphatase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.140, 60.970, 74.060 |
Unit cell angles | 90.00, 99.99, 90.00 |
Refinement procedure
Resolution | 19.570 - 1.300 |
R-factor | 0.14025 |
Rwork | 0.139 |
R-free | 0.16648 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.589 |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.400 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 102851 | |
Completeness [%] | 96.0 | 93.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | hepes, ammonium sulphate, PEG-400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |