5VE2
Crystal structure of enoyl-CoA hydratase/isomerase from Pseudoalteromonas atlantica T6c at 2.3 A resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.660, 160.141, 136.271 |
Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
Resolution | 38.000 - 2.300 |
R-factor | 0.2079 |
Rwork | 0.205 |
R-free | 0.25760 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.436 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.000 | 38.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.230 | 2.300 |
Rmerge | 0.084 | 0.055 | 0.336 |
Rmeas | 0.103 | 0.067 | 0.409 |
Rpim | 0.059 | 0.039 | 0.230 |
Number of reflections | 142189 | 7281 | |
<I/σ(I)> | 6 | 3.3 | |
Completeness [%] | 95.2 | 93.2 | 97.5 |
Redundancy | 3 | 2.9 | 3.1 |
CC(1/2) | 0.988 | 0.933 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 ul of 20 mg/ml protein in 20 mM HEPES pH 7.5, 150 mM NaCl, 10% Glycerol, 0.1% Sodium Azide and 0.5 mM TCEP were mixed with 0.2 ul of the JCSG+ condition #89 (0.2M ammonium acetate, 0.1M Bis-Tris pH 5.5, 45% (v/v) MPD) and equilibrated against 0.9 M NaCl solution in 96 Well 3 drop Crystallization Plate (SwissCi). |