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 |