7AHR
Enzyme of biosynthetic pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-07 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.341, 87.257, 95.493 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.890 - 2.210 |
R-factor | 0.247 |
Rwork | 0.245 |
R-free | 0.29240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nxo |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.629 | 10.000 | 2.340 |
High resolution limit [Å] | 2.210 | 6.560 | 2.210 |
Rmerge | 0.305 | 0.087 | 1.410 |
Rmeas | 0.333 | 0.096 | 1.548 |
Total number of observations | 189855 | ||
Number of reflections | 31045 | 1297 | 4859 |
<I/σ(I)> | 4.98 | 14.54 | 1.41 |
Completeness [%] | 98.9 | 98.3 | 97.5 |
Redundancy | 6.115 | 5.702 | 5.798 |
CC(1/2) | 0.990 | 0.997 | 0.629 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG 4000 and 30% Ethylene glycol |