4ZA2
Crystal structure of Pectobacterium carotovorum 2-keto-3-deoxy-D-gluconate dehydrogenase complexed with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-18 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.663, 72.654, 98.991 |
| Unit cell angles | 90.00, 90.81, 90.00 |
Refinement procedure
| Resolution | 34.130 - 1.550 |
| R-factor | 0.20042 |
| Rwork | 0.199 |
| R-free | 0.22581 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z9y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.167 |
| Data reduction software | SCALEPACK |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 140618 | |
| <I/σ(I)> | 40.5 | 4.4 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 4000, isopropanol, nicotinamide adenine dinucleotide |
