7AN6
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 | 2018-06-25 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.209, 95.199, 72.504 |
| Unit cell angles | 90.00, 93.54, 90.00 |
Refinement procedure
| Resolution | 35.890 - 1.910 |
| R-factor | 0.2118 |
| Rwork | 0.210 |
| R-free | 0.24450 |
| 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] | 35.892 | 3.300 | 2.030 |
| High resolution limit [Å] | 1.910 | 2.860 | 1.910 |
| Rmerge | 0.103 | 0.112 | 0.912 |
| Rmeas | 0.124 | 0.130 | 1.289 |
| Number of reflections | 45399 | 4808 | 6827 |
| <I/σ(I)> | 9.65 | 13.74 | 1.3 |
| Completeness [%] | 98.1 | 99.7 | 91.7 |
| Redundancy | 2.973 | 3.758 | 1.667 |
| CC(1/2) | 0.995 | 0.991 | 0.533 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES Sodium salt, 600mM Sodium chloride, 20% w/v PEG4000 |
