4J6O
Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 130 |
| Detector technology | PIXEL |
| Collection date | 2013-01-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.700, 38.660, 92.950 |
| Unit cell angles | 90.00, 91.80, 90.00 |
Refinement procedure
| Resolution | 38.687 - 1.600 |
| R-factor | 0.1658 |
| Rwork | 0.164 |
| R-free | 0.20570 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.507 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 62980 | |
| <I/σ(I)> | 19.4 | 2.04 |
| Completeness [%] | 98.8 | 89.9 |
| Redundancy | 4.7 | 2.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 300 | Polyethylene Glycol, Citrate Buffer, DMSO, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
