3L0C
Crystal structure of SCP1 phosphatase D206A mutant with trapped inorganic phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.508, 77.256, 63.116 |
| Unit cell angles | 90.00, 112.52, 90.00 |
Refinement procedure
| Resolution | 39.250 - 2.450 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ghq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.603 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.620 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 17693 | |
| <I/σ(I)> | 13.4 | 2.1 |
| Completeness [%] | 95.0 | 53.2 |
| Redundancy | 3.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.5M AMMONIUM SULFATE, 0.2M LITHIUM SULFATE, 100MM HEPES, pH 7.0. CRYSTAL TRANSFERRED TO 100MM MES, pH 6.5, 30% PEG8000, 20MM PNPP, AND 0.2M MAGNESIUM CHLORIDE, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
