5TKI
Neurospora crassa polysaccharide monooxygenase 2 resting state joint X-ray/neutron refinement
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2016-09-13 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.542 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.120, 42.230, 70.290 |
Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
Resolution | 32.866 - 2.115 |
R-factor | 0.2172 |
Rwork | 0.216 |
R-free | 0.25250 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.753 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.100 | 36.100 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.054 | 0.030 | 0.390 |
Rmeas | 0.063 | 0.036 | 0.454 |
Rpim | 0.033 | 0.019 | 0.232 |
Total number of observations | 224095 | 1414 | 10220 |
Number of reflections | 58482 | ||
<I/σ(I)> | 13.8 | 21.4 | 3.8 |
Completeness [%] | 91.6 | 98.8 | 86 |
Redundancy | 3.8 | 3.3 | 3.8 |
CC(1/2) | 0.994 | 0.994 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 295 | PEG 3350, HEPES |
1 | VAPOR DIFFUSION | 6 | 295 | PEG 3350, HEPES |