3LLC
Crystal structure of Putative hydrolase (YP_002548124.1) from Agrobacterium vitis S4 at 1.80 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-07 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97949,0.97934 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 112.652, 112.652, 59.497 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.763 - 1.800 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.18500 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.436 |
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] | 28.763 | 28.763 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.063 | 0.032 | 0.706 |
Number of reflections | 35908 | 6786 | 6124 |
<I/σ(I)> | 12.12 | 30.7 | 2 |
Completeness [%] | 99.3 | 99.1 | 96.5 |
Redundancy | 7.107 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | 0.2000M NaCl, 20.0000% PEG-3350, No Buffer pH 6.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |