Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-22 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.433, 137.416, 156.473 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.540 - 3.110 |
R-factor | 0.2609 |
Rwork | 0.259 |
R-free | 0.30920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vzk |
RMSD bond length | 0.007 |
RMSD bond angle | 1.579 |
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 | 3.170 |
High resolution limit [Å] | 3.110 | 8.460 | 3.120 |
Rmerge | 0.266 | 0.134 | 0.670 |
Rmeas | 0.300 | 0.150 | 0.783 |
Rpim | 0.134 | 0.066 | 0.395 |
Number of reflections | 16346 | 977 | 747 |
<I/σ(I)> | 3.9 | ||
Completeness [%] | 93.4 | 97.6 | 91.9 |
Redundancy | 4.6 | 5.2 | 3.5 |
CC(1/2) | 0.975 | 0.565 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M HEPES, 16% PEG 6000, 0.1% v/v Triton X-114 |