5U2A
Crystal structure of Brucella canis Acyl-CoA Synthetase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-27 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.979490 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.600, 92.200, 141.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.918 - 2.500 |
R-factor | 0.1926 |
Rwork | 0.191 |
R-free | 0.22830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pg4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.852 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((1.11.1_2575: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.047 | 0.512 |
Number of reflections | 28526 | |
<I/σ(I)> | 20.27 | 3.36 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 4.8 | 5 |
CC(1/2) | 0.999 | 0.944 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | ACETYL COA SYNTHETASE FROM BRUCELLA CANIS ATCC 23365 (BRCAA.00629.A.B1.PW37891) AT 26MG/ML (25 MM TRIS PH 8.0, 200 MM NACL, 1% GLYCEROL, 1 MM TCEP) WAS SET UP IN SPARSE CRYSTALLIZATION TRIALS AT 16C. CRYSTALS WERE PRODUCED BY SITTING DROP VAPOR DIFFUSION WITH AN EQUAL VOLUME OF PROTEIN AND SPARSE SCREEN MORPHEUS CONDITION A9 (0.1M TRIS(BASE), 0.1M BICINE, PH8.5, 0.06M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.06M CALCIUM CHLORIDE DIHYDRATE, 20% PEG500 MME, 10% PEG20,000) AND DIRECTLY CRYO-PROTECTED. CRYSTAL ID 273132A9,RDJ0-10, CLSI-08ID, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K |