3L12
Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (YP_165505.1) from Silicibacter pomeroyi DSS-3 at 1.60 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 | 2009-06-12 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97917,0.97862 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.409, 136.411, 50.548 |
Unit cell angles | 90.00, 118.00, 90.00 |
Refinement procedure
Resolution | 27.277 - 1.600 |
R-factor | 0.158 |
Rwork | 0.156 |
R-free | 0.18700 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.716 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.277 | 27.280 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.074 | 0.054 | 0.417 |
Total number of observations | 2240 | 14633 | |
Number of reflections | 78581 | ||
<I/σ(I)> | 9.3 | 22.6 | 2 |
Completeness [%] | 99.3 | 97.1 | 98.4 |
Redundancy | 2.6 | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 277 | 0.4000M magnesium chloride, 18.0000% polyethylene glycol 8000, 0.1M TRIS pH 8.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |