7AN7
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 | 2018-06-23 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.302, 94.778, 71.472 |
| Unit cell angles | 90.00, 95.13, 90.00 |
Refinement procedure
| Resolution | 47.390 - 1.810 |
| R-factor | 0.1996 |
| Rwork | 0.198 |
| R-free | 0.23510 |
| 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] | 47.390 | 5.390 | 1.920 |
| High resolution limit [Å] | 1.810 | 3.820 | 1.810 |
| Rmerge | 0.055 | 0.032 | 0.364 |
| Rmeas | 0.067 | 0.037 | 0.514 |
| Number of reflections | 52475 | 3682 | 7676 |
| <I/σ(I)> | 12.84 | 34.06 | 1.74 |
| Completeness [%] | 97.3 | 99.5 | 88.5 |
| Redundancy | 2.742 | 3.748 | 1.5 |
| CC(1/2) | 0.998 | 0.998 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 25 % w/v PEG 4000, 100 mM Sodium Citrate, 200 mM Ammonium Sulfate |
