7AN9
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 | 2018-12-19 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.905, 94.149, 73.237 |
Unit cell angles | 90.00, 93.51, 90.00 |
Refinement procedure
Resolution | 47.070 - 2.110 |
R-factor | 0.2121 |
Rwork | 0.210 |
R-free | 0.25560 |
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] | 47.074 | 10.000 | 2.240 |
High resolution limit [Å] | 2.110 | 6.290 | 2.110 |
Rmerge | 0.093 | 0.035 | 0.447 |
Rmeas | 0.128 | 0.049 | 0.610 |
Total number of observations | 104278 | ||
Number of reflections | 59519 | 2332 | 7792 |
<I/σ(I)> | 6.53 | 18.89 | 1.39 |
Completeness [%] | 90.8 | 94 | 73.3 |
Redundancy | 1.752 | 1.848 | 1.561 |
CC(1/2) | 0.992 | 0.996 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10 % w/v PEG 4000, 100 mM MES Sodium Salt, 200 mM Magnesium Chloride |