6INB
Crystal structure of an acetolactate decarboxylase from Klebsiella pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 55.279, 55.279, 119.532 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.870 - 1.800 |
| R-factor | 0.17497 |
| Rwork | 0.173 |
| R-free | 0.21914 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bt2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.563 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.021 | 0.090 |
| Number of reflections | 20250 | 999 |
| <I/σ(I)> | 27.8 | 9.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19 | 15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG-3000, 0.1M citrate, pH 5.5 and 12% w/v Polyethylene glycol 3,350, 0.1M sodium malonate, pH 6.0 |
