7AN8
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 | 2018-12-18 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.956, 95.075, 72.137 |
| Unit cell angles | 90.00, 93.96, 90.00 |
Refinement procedure
| Resolution | 47.540 - 2.010 |
| R-factor | 0.2101 |
| Rwork | 0.209 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ahr |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.540 | 10.000 | 2.140 |
| High resolution limit [Å] | 2.010 | 6.000 | 2.010 |
| Rmerge | 0.099 | 0.032 | 0.529 |
| Rmeas | 0.136 | 0.045 | 0.724 |
| Number of reflections | 73407 | 2854 | 9824 |
| <I/σ(I)> | 6.69 | 19.12 | 1.66 |
| Completeness [%] | 93.2 | 95.7 | 76.9 |
| Redundancy | 1.901 | 1.951 | 1.639 |
| CC(1/2) | 0.992 | 0.997 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 18 mM MES Sodium Salt, 4.5% v/v 2-Propanol, 25% w/v PEG 4000, 10% v/v Glycerol |
