4NPI
1.94 Angstroms X-ray crystal structure of NAD- and intermediate- bound alpha-aminomuconate-epsilon-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 | 2013-06-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.355, 141.747, 174.372 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 109.990 - 1.940 |
R-factor | 0.17394 |
Rwork | 0.172 |
R-free | 0.21607 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i2r |
RMSD bond length | 0.022 |
RMSD bond angle | 1.953 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.730 | 1.980 |
High resolution limit [Å] | 1.940 | 1.950 |
Rmerge | 0.100 | |
Number of reflections | 152910 | |
Completeness [%] | 94.4 | 99.8 |
Redundancy | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.1 | 298 | 20% PEG3350, 0.2 M sodium phosphate dibasic, pH 9.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |