Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2016-07-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 136.543, 209.761, 212.630 |
Unit cell angles | 60.50, 85.07, 90.12 |
Refinement procedure
Resolution | 41.551 - 3.500 |
R-factor | 0.3162 |
Rwork | 0.315 |
R-free | 0.34020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5y9e |
RMSD bond length | 0.003 |
RMSD bond angle | 0.616 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.560 |
High resolution limit [Å] | 3.500 | 3.500 |
Number of reflections | 248099 | 11253 |
<I/σ(I)> | 4.8 | |
Completeness [%] | 97.0 | |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.2M calcium acetate, 18% (w/v) PEG 3350 |