2JFS
Crystal structure of the PPM Ser-Thr phosphatase MsPP from Mycobacterium smegmatis in complex with cacodylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-07 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.568, 65.786, 110.059 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.380 - 1.450 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cm1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.459 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.900 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.050 | 0.430 |
| Number of reflections | 47486 | |
| <I/σ(I)> | 15.6 | 2.6 |
| Completeness [%] | 99.0 | 97.7 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 18% PEG12K, 85 MM NA CACODYLATE PH 6.5, 120 MM NA ACETATE, 13% GLYCEROL |
