3MZO
Crystal structure of a HD-domain phosphohydrolase (lin2634) from LISTERIA INNOCUA at 1.98 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) | 0.91837,0.97939,0.97925 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.243, 121.866, 66.621 |
Unit cell angles | 90.00, 121.36, 90.00 |
Refinement procedure
Resolution | 48.741 - 1.980 |
R-factor | 0.167 |
Rwork | 0.166 |
R-free | 0.20000 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.401 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.741 | 48.741 | 2.050 |
High resolution limit [Å] | 1.980 | 4.250 | 1.980 |
Rmerge | 0.053 | 0.027 | 0.504 |
Number of reflections | 47810 | 4875 | 4684 |
<I/σ(I)> | 15.73 | 41.2 | 2.7 |
Completeness [%] | 99.4 | 98.4 | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2000M calcium chloride, 28.0000% polyethylene glycol 400, 0.1M HEPES pH 7.5, 0.005M 2'-deoxyadenosine 5'-monophosphate (dAMP), NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |