2B4P
Structure of the D223N mutant of Selenomonas ruminantium PTP-like phytase
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 | 2004-02-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1166 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.200, 137.420, 79.610 |
| Unit cell angles | 90.00, 102.58, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.810 |
| Rwork | 0.196 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.139 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.074 | 0.411 |
| Number of reflections | 77204 | |
| Completeness [%] | 87.9 | 63.1 |
| Redundancy | 1.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 295 | 1.35 M ammonium sulfate, 0.90 M NaCl, 1 % 1,6 hexandiol, pH 6.5, vapor diffusion, temperature 295K |
