3CMR
E. coli alkaline phosphatase mutant R166S in complex with phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-20 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 160.614, 160.614, 139.923 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.750 - 2.050 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1alk |
RMSD bond length | 0.017 |
RMSD bond angle | 1.601 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.750 | 2.100 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 63497 | |
<I/σ(I)> | 21.3 | |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 26.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 22% PEG 3350, 0.2 M sodium citrate, 1 mM magnesium chloride, 5 mM sodium phosphate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |