2P97
CRYSTAL STRUCTURE OF A PUTATIVE METAL-DEPENDENT HYDROLASE (AVA_3068) FROM ANABAENA VARIABILIS ATCC 29413 AT 1.65 A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-15 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97927 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 103.320, 103.320, 96.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.488 - 1.650 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.18900 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.664 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.488 | 1.710 | |
High resolution limit [Å] | 1.650 | 2.820 | 1.650 |
Rmerge | 0.052 | 0.034 | 0.626 |
Number of reflections | 63319 | ||
<I/σ(I)> | 14.57 | 30.9 | 2.3 |
Completeness [%] | 96.4 | 99.4 | 88.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | NANODROP, 15.8% PEG 3350, 0.186M Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K | |
2 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | NANODROP, 20.0% PEG 3350, 0.2M Magnesium nitrate, 0.1M MES pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |