7LZO
DHP B in complex with 2,4-Dibromophenol substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SPALLATION SOURCE |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.909, 66.248, 69.716 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.168 - 1.930 |
| R-factor | 0.1667 |
| Rwork | 0.162 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3XIF |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.884 |
| 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 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.152 | 0.569 |
| Number of reflections | 20247 | 1016 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 98.8 | 99.7 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | PEG4000, ammonium sulfate, sodium cacodylate buffer |
