8E1W
Neutron crystal structure of Panus similis AA9A at room temperature
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2020-08-10 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 126.469, 126.469, 126.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.800 - 2.800 |
Rwork | 0.225 |
R-free | 0.25980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n04 |
RMSD bond length | 0.030 |
RMSD bond angle | 2.357 |
Data reduction software | Mantid |
Data scaling software | LAUENORM |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.670 | 2.900 |
High resolution limit [Å] | 2.100 | 2.800 |
Rmeas | 0.185 | |
Rpim | 0.057 | 0.480 |
Number of reflections | 20749 | 2019 |
<I/σ(I)> | 14.16 | |
Completeness [%] | 99.9 | |
Redundancy | 10.3 | |
CC(1/2) | 0.988 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 283 | 1.30 M NaCl, 0.1 M citric acid |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 283 | 1.30 M NaCl, 0.1 M citric acid |