Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2019-04-07 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00003 |
Spacegroup name | P 1 |
Unit cell lengths | 63.410, 82.190, 82.660 |
Unit cell angles | 68.61, 77.36, 77.49 |
Refinement procedure
Resolution | 46.456 - 1.900 |
Rwork | 0.171 |
R-free | 0.21340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fmg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.570 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.460 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.150 | 0.135 |
Number of reflections | 117709 | 8633 |
<I/σ(I)> | 9.83 | 1.61 |
Completeness [%] | 99.4 | 98.9 |
Redundancy | 6.95 | 6.8 |
CC(1/2) | 0.997 | 0.570 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | Sodium acetate trihydrate, PEG 3,350, 1,5-Diaminopentane dihydrochloride |