Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-16 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.87293 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 152.240, 62.618, 143.620 |
Unit cell angles | 90.00, 118.10, 90.00 |
Refinement procedure
Resolution | 39.220 - 1.600 |
R-factor | 0.1649 |
Rwork | 0.164 |
R-free | 0.19030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eca |
RMSD bond length | 0.010 |
RMSD bond angle | 1.141 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.400 | 1.650 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.135 | 1.321 |
Rmeas | 0.146 | 1.430 |
Rpim | 0.055 | 0.543 |
Number of reflections | 161044 | 15759 |
<I/σ(I)> | 8.3 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 | 6.8 |
CC(1/2) | 0.997 | 0.577 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | HEPES 0.1 M, PEG 8000 5%, ETHYLENE GLYCOL 8% |