4OU2
A 2.15 Angstroms X-ray crystal structure of E268A 2-aminomuconate 6-semialdehyde dehydrogenase catalytic intermediate from Pseudomonas fluorescens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.571, 141.556, 174.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.927 - 2.150 |
R-factor | 0.1943 |
Rwork | 0.192 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i1w |
RMSD bond length | 0.008 |
RMSD bond angle | 1.209 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.148 | 0.587 |
Number of reflections | 119893 | |
<I/σ(I)> | 17.7 | 3.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 8.8 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.1 | 291 | 0.2 M Sodium phosphate dibasic dihydrate, 20% w/v Polyethylene glycol 3350, pH 9.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K |