4KYQ
Structure of a product bound plant phosphatase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-11-28 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 51.820, 99.582, 37.763 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.630 - 1.640 |
R-factor | 0.15885 |
Rwork | 0.157 |
R-free | 0.19909 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nme |
RMSD bond length | 0.014 |
RMSD bond angle | 1.678 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.710 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.593 | |
Number of reflections | 22033 | |
<I/σ(I)> | 2.25 | |
Completeness [%] | 90.1 | 86.3 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 291 | 0.1M tri-sodium citrate, 16% 2-propanol, 31% PEG 4000, 2% glycerol, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |