5KLO
Crystal structure of thioacyl intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-14 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.111, 141.724, 171.505 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.896 - 1.790 |
| R-factor | 0.1791 |
| Rwork | 0.179 |
| R-free | 0.20320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i26 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.118 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (phenix.refine: 1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
| High resolution limit [Å] | 1.790 | 3.860 | 1.790 |
| Rmerge | 0.076 | 0.051 | 0.813 |
| Number of reflections | 193366 | ||
| <I/σ(I)> | 8.8 | ||
| Completeness [%] | 95.3 | 94.9 | 86.8 |
| Redundancy | 11.7 | 10.7 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 0.15 M Na2HPO4 pH 9.1, 15% (w/v) PEG 3350 |
