7AN5
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 1 21 1 |
Unit cell lengths | 43.918, 94.464, 71.692 |
Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
Resolution | 43.737 - 1.910 |
R-factor | 0.2032 |
Rwork | 0.202 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ahr |
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] | 43.740 | 10.000 | 2.020 |
High resolution limit [Å] | 1.910 | 5.680 | 1.910 |
Rmerge | 0.068 | 0.033 | 0.606 |
Rmeas | 0.085 | 0.041 | 0.857 |
Number of reflections | 41744 | 1748 | 5275 |
<I/σ(I)> | 12.74 | 31.73 | 2 |
Completeness [%] | 92.1 | 98.4 | 72.5 |
Redundancy | 2.642 | 3.125 | 1.735 |
CC(1/2) | 0.997 | 0.998 | 0.553 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM Tris HCl 200 mM sodium acetate 30 % PEG 4000 |