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 |
