4NG3
Crystal structure of 5-carboxyvanillate decarboxylase from Sphingomonas paucimobilis complexed with 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
Replaces: 4L5PExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 |
| Unit cell lengths | 80.544, 100.399, 100.024 |
| Unit cell angles | 66.64, 67.96, 88.24 |
Refinement procedure
| Resolution | 48.714 - 1.751 |
| R-factor | 0.1537 |
| Rwork | 0.152 |
| R-free | 0.18840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4icm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.124 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 48.714 |
| High resolution limit [Å] | 1.751 |
| Number of reflections | 257266 |
| Completeness [%] | 96.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG 10000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
