3GFF
Crystal structure of IroE-like serine hydrolase (NP_718593.1) from SHEWANELLA ONEIDENSIS at 2.12 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 | 2008-11-15 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97824,0.97864 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.650, 125.570, 56.750 |
Unit cell angles | 90.00, 117.94, 90.00 |
Refinement procedure
Resolution | 28.307 - 2.120 |
R-factor | 0.187 |
Rwork | 0.184 |
R-free | 0.24100 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.614 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.307 | 28.307 | 2.200 |
High resolution limit [Å] | 2.120 | 4.550 | 2.120 |
Rmerge | 0.058 | 0.020 | 0.276 |
Number of reflections | 33406 | 5960 | 6105 |
<I/σ(I)> | 8.62 | 24 | 2 |
Completeness [%] | 79.0 | 78.2 | 77.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 15.0000% Ethanol, 0.2000M MgCl2, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |