4V4D
Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with pyrogallol
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 1 |
| Unit cell lengths | 172.473, 178.140, 179.050 |
| Unit cell angles | 64.11, 64.45, 65.11 |
Refinement procedure
| Resolution | 24.990 - 2.200 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.22400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1TI2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.800 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.140 | 0.515 |
| Number of reflections | 814421 | |
| <I/σ(I)> | 5.1 | 1.4 |
| Completeness [%] | 96.9 | 96.1 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | PEG 8000, sodium acetate, potassium phosphate, sodium dithionite, sodium cacodylate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |
