4FH6
Structure of DHP A in complex with 2,4,6-tribromophenol in 10% DMSO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91339 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.634, 67.246, 69.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 1.440 |
R-factor | 0.20463 |
Rwork | 0.203 |
R-free | 0.23329 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qfk |
RMSD bond length | 0.008 |
RMSD bond angle | 2.498 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.447 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.089 | 0.413 |
Number of reflections | 46300 | |
<I/σ(I)> | 11.9 | 2.69 |
Completeness [%] | 99.0 | 98.61 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 0.2 M Ammonium Sulfate, 32% w/v PEG 4000, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |