6QSI
Pseudomonas fluorescens Pf-5 thiamine diphosphate-dependent 4-hydroxybenzoylformate decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.720, 130.720, 180.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.490 - 1.690 |
| R-factor | 0.1601 |
| Rwork | 0.159 |
| R-free | 0.17996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.654 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.000 | 1.780 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.101 | 1.206 |
| Rmeas | 0.105 | 1.126 |
| Number of reflections | 144852 | |
| <I/σ(I)> | 16.5 | 2 |
| Completeness [%] | 99.6 | 97.5 |
| Redundancy | 10.3 | |
| CC(1/2) | 0.999 | 0.786 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 300 | 0.1 M sodium acetate pH 4.6, 2M sodium formate |
