2GTA
Crystal Structure of the putative pyrophosphatase YPJD from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR428.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.747, 79.694, 119.568 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.890 - 2.900 |
R-factor | 0.225 |
Rwork | 0.225 |
R-free | 0.26300 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.020 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.095 | 0.318 |
Number of reflections | 24876 | |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 12.1 | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 16% PEG 3350, 0.25 M Sodium Tartrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |