3HI0
Crystal structure of Putative exopolyphosphatase (17739545) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 2.30 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 | 2009-02-23 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97895,0.97835 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.327, 66.302, 329.654 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.722 - 2.300 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.23300 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.387 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.722 | 29.722 | 2.380 |
High resolution limit [Å] | 2.300 | 4.930 | 2.300 |
Rmerge | 0.039 | 0.022 | 0.327 |
Number of reflections | 54859 | 9930 | 9188 |
<I/σ(I)> | 13.1 | 32.9 | 2.1 |
Completeness [%] | 94.4 | 91.6 | 89.1 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 10.0000% MPD, 0.1M Acetate pH 5.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |