2JFR
Crystal structure of the PPM Ser-Thr phosphatase MsPP from Mycobacterium smegmatis in complex with phosphate at 0.83 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 76.382, 83.998, 33.478 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 0.830 |
| R-factor | 0.0949 |
| R-free | 0.12420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.035 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 0.860 |
| High resolution limit [Å] | 0.830 | 0.830 |
| Rmerge | 0.020 | 0.480 |
| Number of reflections | 189539 | |
| <I/σ(I)> | 15.8 | 2.7 |
| Completeness [%] | 93.2 | 88 |
| Redundancy | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 30% PEG3350, 100 MM TRIS-HCL PH 8.5, 250 MM MGCL2 |
