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 |
