4QT9
Crystal structure of a putative glucoamylase (BACCAC_03554) from Bacteroides caccae ATCC 43185 at 2.05 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-17 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97886,0.9793 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 117.925, 80.728, 90.752 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.614 - 2.050 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.22020 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | XSCALE (July 4, 2012 BUILT=20130617) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.614 | 2.120 | |
High resolution limit [Å] | 2.050 | 4.400 | 2.050 |
Rmerge | 0.173 | 0.068 | 0.967 |
Rmeas | 0.075 | 1.069 | |
Number of reflections | 54536 | 5840 | 4726 |
<I/σ(I)> | 7.01 | 16.5 | 1.9 |
Completeness [%] | 98.9 | 99.2 | 90.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2M sodium acetate, 30.0% polyethylene glycol 4000, 0.1M tris hydrochloride pH 8.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K |