7LZK
DHP B in complex with 2,4-Dichlorophenol substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.015, 66.211, 69.969 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.925 - 1.490 |
| R-factor | 0.145 |
| Rwork | 0.143 |
| R-free | 0.18730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ixf |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.927 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.076 | 0.667 |
| Number of reflections | 42731 | 2116 |
| <I/σ(I)> | 19.94 | 2.1 |
| Completeness [%] | 96.1 | 96.7 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | PEG 4000, ammonium sulfate, sodium cacodylate pH 6.4 |
