4V4E
Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with inhibitor 1,2,4,5-tetrahydroxy-benzene
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 1 |
| Unit cell lengths | 172.575, 178.437, 179.665 |
| Unit cell angles | 63.83, 64.40, 65.04 |
Refinement procedure
| Resolution | 24.990 - 2.000 |
| R-factor | 0.172 |
| Rwork | 0.172 |
| R-free | 0.20300 |
| 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 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.340 |
| Number of reflections | 1084767 | |
| <I/σ(I)> | 4 | 1.9 |
| Completeness [%] | 96.6 | 92 |
| Redundancy | 3.2 | 2.7 |
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 |
