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 |
