5C81
ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 12min
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.530, 90.080, 112.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.840 - 1.800 |
| R-factor | 0.1493 |
| Rwork | 0.148 |
| R-free | 0.17550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wzl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.058 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.095 | 0.536 |
| Number of reflections | 70972 | |
| <I/σ(I)> | 22.4 | 6.7 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 13.7 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 1.2 M ammonium dibasic phosphate, 200 mM KCl, 100 mM imidazole |
