3GXG
Crystal structure of Putative phosphatase (DUF442) (YP_001181608.1) from SHEWANELLA PUTREFACIENS CN-32 at 1.60 A resolution
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-18 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 4 |
Unit cell lengths | 111.223, 111.223, 66.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.640 - 1.600 |
R-factor | 0.153 |
Rwork | 0.152 |
R-free | 0.18000 |
Structure solution method | SAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.474 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.640 | 42.640 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmeas | 0.117 | 0.028 | 0.751 |
Total number of observations | 396929 | ||
Number of reflections | 106820 | 3487 | 15547 |
<I/σ(I)> | 13.6 | 42.6 | 2.3 |
Completeness [%] | 99.9 | 99.8 | 99.9 |
Redundancy | 3.7 | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 1.26M (NH4)2SO4, 0.20M NaCl, 0.1M Acetate pH 4.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |