3I7A
Crystal structure of Putative metal-dependent phosphohydrolase (YP_926882.1) from Shewanella amazonensis SB2B at 2.06 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97839,0.97799 |
Spacegroup name | P 41 |
Unit cell lengths | 76.626, 76.626, 57.783 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.476 - 2.060 |
R-factor | 0.188 |
Rwork | 0.185 |
R-free | 0.23600 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.499 |
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] | 29.476 | 29.476 | 2.140 |
High resolution limit [Å] | 2.060 | 4.440 | 2.060 |
Rmerge | 0.053 | 0.019 | 0.408 |
Number of reflections | 20761 | 3985 | 3843 |
<I/σ(I)> | 11.62 | 34.7 | 1.9 |
Completeness [%] | 98.0 | 96.4 | 98.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 20.0000% PEG-6000, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |