4KM4
E. coli alkaline phosphatase mutant S102G/R166S in complex with inorganic phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-06 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 160.935, 160.935, 139.549 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
Rwork | 0.232 |
R-free | 0.29611 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1alk |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | FFX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.910 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.337 | |
Number of reflections | 26488 | |
<I/σ(I)> | 13.8 | 3.9 |
Completeness [%] | 99.2 | 98.5 |
Redundancy | 20.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | Equal parts 23.5 mg/mL enzyme in 10 mM NaMOPS and 50 mM NaCl and 0.2 M NH4F, 17-21% PEG 3350, and 500 uM ZnCl2, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 291K |