Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-25 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.143, 91.423, 91.922 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.560 - 2.560 |
R-factor | 0.2342 |
Rwork | 0.232 |
R-free | 0.28080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vzk |
RMSD bond length | 0.004 |
RMSD bond angle | 1.265 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.600 |
High resolution limit [Å] | 2.560 | 6.940 | 2.560 |
Rmerge | 0.232 | 0.120 | 0.812 |
Rmeas | 0.253 | 0.133 | 0.897 |
Rpim | 0.099 | 0.056 | 0.377 |
Total number of observations | 130243 | ||
Number of reflections | 20515 | 1139 | 1018 |
<I/σ(I)> | 5 | ||
Completeness [%] | 100.0 | 99.6 | 99.8 |
Redundancy | 6.3 | 5.5 | 5.4 |
CC(1/2) | 0.985 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 0.1 M Bis(2-hydroxyethyl)amino-tris(hydroxymethyl)methane, 0.1 M Ammonium sulfate, 25% PEG 3350, 19mM Methyl 6-O-(N-heptylcarbamoyl)-alpha-D-glucopyranoside |