3EXM
Crystal structure of the phosphatase SC4828 with the non-hydrolyzable nucleotide GPCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-12-18 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.941, 79.706, 82.507 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.740 - 1.650 |
| R-factor | 0.17853 |
| Rwork | 0.177 |
| R-free | 0.19911 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cbt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.505 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.033 | 0.256 |
| Number of reflections | 29402 | |
| <I/σ(I)> | 46.02 | 6.29 |
| Completeness [%] | 97.5 | 80.5 |
| Redundancy | 6.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 295 | 0.2 M CaCl2, 20% PEG 3350, 1 mM GPCP. Cryoprotected in N-paratone oil, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
