3MDQ
Crystal structure of an Exopolyphosphatase (CHU_0316) from Cytophaga hutchinsonii ATCC 33406 at 1.50 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 | 2010-03-11 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.96109,0.97934,0.97925 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.687, 89.335, 89.374 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.786 - 1.500 |
R-factor | 0.154 |
Rwork | 0.153 |
R-free | 0.17800 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.560 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.786 | 29.786 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.057 | 0.035 | 0.435 |
Number of reflections | 56714 | 9976 | 9366 |
<I/σ(I)> | 8.14 | 20.6 | 1.7 |
Completeness [%] | 94.1 | 89.5 | 90.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.4500M ammonium sulfate, 13.6000% Glycerol, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |