7E1N
Crystal structure of PhlH in complex with 2,4-diacetylphloroglucinol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 106.741, 106.741, 284.181 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.1758 |
| Rwork | 0.174 |
| R-free | 0.21040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7e1l |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.890 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rpim | 0.051 | |
| Number of reflections | 36698 | 1822 |
| <I/σ(I)> | 15.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.854 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 2.8M Sodium chloride, 0.1M Sodium acetate trihydrate pH 4.7 |
