2PT0
Structure of Selenomonas ruminantium PTP-like phytase with the active site cysteine oxidized to cysteine-sulfonic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.11 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.010, 137.900, 80.290 |
| Unit cell angles | 90.00, 102.78, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.185 |
| Rwork | 0.177 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b4p |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.038 | 0.237 |
| Number of reflections | 95985 | |
| <I/σ(I)> | 23.7 | 3.81 |
| Completeness [%] | 89.8 | 54 |
| Redundancy | 2.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 10% P8K, 200 mM NaCl, 50 mM Na-acetate (pH 4.8), VAPOR DIFFUSION, SITTING DROP, temperature 293K |
