3OCC
Crystal structure of PNP with DADMEimmH from Yersinia pseudotuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0750 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.647, 109.829, 154.747 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.15058 |
Rwork | 0.149 |
R-free | 0.18084 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pr0 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.519 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.100 | 0.724 |
Number of reflections | 171125 | |
<I/σ(I)> | 28.7 | 2.48 |
Completeness [%] | 99.5 | 100 |
Redundancy | 8.1 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 293 | 150mM DL-malic acid, 20% PEG3350, pH 7.0, EVAPORATION, temperature 293K |