7CU2
CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE THAL IN COMPLEX WITH REDUCED FAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2018-12-21 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.454, 119.311, 86.627 |
Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hy5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.441 |
Data reduction software | PROTEUM PLUS |
Data scaling software | Aimless (0.5.21) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.540 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.067 | 0.174 |
Rmeas | 0.074 | 0.202 |
Rpim | 0.031 | 0.102 |
Total number of observations | 204338 | 16125 |
Number of reflections | 41354 | 4364 |
<I/σ(I)> | 15 | 4.6 |
Completeness [%] | 98.7 | 99.2 |
Redundancy | 4.9 | 3.7 |
CC(1/2) | 0.997 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 293 | 0.28-0.38M NaF, 23-31% w/v PEG 3350 |