4KDY
Crystal structure of maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, Target EFI-507175, with bound GSH in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-06 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.505, 80.490, 87.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.710 - 1.500 |
R-factor | 0.18173 |
Rwork | 0.181 |
R-free | 0.20264 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4igj |
RMSD bond length | 0.006 |
RMSD bond angle | 1.203 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.076 | 0.671 |
Number of reflections | 72580 | |
<I/σ(I)> | 24 | 3 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 7.2 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.2 M ammonium citrate dibasic, pH 5.0, 20% w/v PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |