Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-02 |
Detector | DECTRIS PILATUS3 R CdTe 300K |
Wavelength(s) | 0.9788 |
Spacegroup name | P 63 |
Unit cell lengths | 147.714, 147.714, 135.389 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.480 - 2.411 |
R-factor | 0.249672053675 |
Rwork | 0.248 |
R-free | 0.28024 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fcy |
RMSD bond length | 0.003 |
RMSD bond angle | 0.634 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_2474) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.480 | 49.915 |
High resolution limit [Å] | 2.410 | 6.850 |
Rmerge | 0.109 | 0.287 |
Rmeas | 0.111 | |
Number of reflections | 64479 | 2736 |
<I/σ(I)> | 24.9 | |
Completeness [%] | 100.0 | |
Redundancy | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.2M ammonium sulfate, 0.075M MES monohydrate pH 6.5, 7.5% (v/v) 1,4-Dioxane, 25% (v/v) Glycerol |