4WZC
Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic Intermediates - 2,3-cis-4,5-trans ACMS bound to I142A mutant HAO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 191 |
| Detector technology | CCD |
| Collection date | 2013-06-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.282, 58.282, 230.605 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.047 - 1.842 |
| R-factor | 0.2071 |
| Rwork | 0.205 |
| R-free | 0.25810 |
| Structure solution method | MAD |
| Starting model (for MR) | 4r52 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.656 |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.840 |
| Number of reflections | 21142 |
| <I/σ(I)> | 56.47 |
| Completeness [%] | 87.9 |
| Redundancy | 17.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | PEG 8000 |
