6BN2
Crystal structure of Acetyl-CoA acetyltransferase from Elizabethkingia anophelis NUHP1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-12 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 99.170, 167.420, 72.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.939 - 1.650 |
R-factor | 0.1389 |
Rwork | 0.138 |
R-free | 0.15610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3LSQ per MorDa |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.939 | 40.939 | 1.690 |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.053 | 0.023 | 0.511 |
Rmeas | 0.057 | 0.025 | 0.570 |
Number of reflections | 72724 | 901 | 5325 |
<I/σ(I)> | 20.87 | 50.18 | 3.06 |
Completeness [%] | 99.9 | 97.9 | 100 |
Redundancy | 6.028 | 5.452 | 5.099 |
CC(1/2) | 0.999 | 0.999 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | 18.9 mg/mL ElanA.00654.a.B1.PS38241 + 3 mM AcetylCoA + RigakuReagents JCSG+ screen, E11: 14.5% w/v PEG8000, 20% w/v glycerol, 160 mM calcium acetate, 100 mM cacodylate/HCl, pH 6.5, cryoprotectant: direct, tray 291032e11, puck DYA4-6 |