4I1W
2.00 Angstroms X-ray crystal structure of NAD- bound 2-aminomuconate 6-semialdehyde dehydrogenase 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 | 2012-06-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.584, 141.999, 174.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.257 - 1.992 |
R-factor | 0.1721 |
Rwork | 0.170 |
R-free | 0.21830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d4e |
RMSD bond length | 0.012 |
RMSD bond angle | 1.426 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 35.000 | 2.070 |
High resolution limit [Å] | 1.990 | 4.310 | 2.000 |
Rmerge | 0.112 | 0.040 | 0.891 |
Number of reflections | 149605 | ||
<I/σ(I)> | 7.7 | ||
Completeness [%] | 99.8 | 99.2 | 98.9 |
Redundancy | 13.7 | 14.6 | 9.1 |
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 3,350 , pH 9.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K |