4V4C
Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici
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 | 2001-04-30 |
Detector | MARRESEARCH |
Wavelength(s) | 1.7426 |
Spacegroup name | P 1 |
Unit cell lengths | 174.022, 179.641, 181.225 |
Unit cell angles | 63.69, 63.98, 64.90 |
Refinement procedure
Resolution | 24.980 - 2.350 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.25400 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 2.800 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SHARP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.630 | 2.390 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.134 | 0.600 |
Number of reflections | 635960 | |
<I/σ(I)> | 7 | 1.2 |
Completeness [%] | 90.1 | 87.2 |
Redundancy | 2.3 | 2.2 |
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 |