4Z9X
Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus pyogenes
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 | 2012-04-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 67.621, 67.621, 108.907 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.010 - 1.700 |
| R-factor | 0.18326 |
| Rwork | 0.182 |
| R-free | 0.20066 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cxr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.102 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.067 | 0.460 |
| Number of reflections | 28162 | |
| <I/σ(I)> | 58 | 5.1 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 12 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | PEG 4000, sodium citrate, ammonium sulfate, nicotinamide adenine dinucleotide, 5-keto-D-gluconic acid potassium salt |
