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 | 2017-05-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97732 |
Spacegroup name | P 1 |
Unit cell lengths | 81.854, 92.301, 109.894 |
Unit cell angles | 77.47, 70.69, 64.36 |
Refinement procedure
Resolution | 44.997 - 2.671 |
R-factor | 0.2375 |
Rwork | 0.236 |
R-free | 0.26770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4plc |
RMSD bond length | 0.002 |
RMSD bond angle | 0.461 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.997 | 2.671 |
High resolution limit [Å] | 2.671 | 2.671 |
Rmerge | 0.078 | 0.503 |
Number of reflections | 72344 | 72344 |
<I/σ(I)> | 1.81 | |
Completeness [%] | 93.5 | |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 1M Lithium Chloride, 0.1M Sodium Acetate and 25-30% (w/v) PEG 6000 |