8X0J
old yellow enzymes-Q102A/Y169F/R215A/R308A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-11 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.54178 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 86.060, 143.570, 155.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.740 - 3.110 |
R-factor | 0.21757 |
Rwork | 0.215 |
R-free | 0.26484 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.453 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PRIME-X (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.740 | 3.320 |
High resolution limit [Å] | 3.110 | 3.110 |
Rmerge | 0.175 | 0.494 |
Number of reflections | 17476 | 3128 |
<I/σ(I)> | 5.8 | |
Completeness [%] | 98.9 | |
Redundancy | 3.5 | |
CC(1/2) | 0.967 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | glycine,PEG 2000,glycerinum |