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 |