6N04
The X-ray crystal structure of AbsH3, an FAD dependent reductase from the Abyssomicin biosynthesis pathway in Streptomyces
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-18 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.316, 109.491, 143.637 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.195 - 1.998 |
R-factor | 0.1852 |
Rwork | 0.183 |
R-free | 0.23650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v3n |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.195 | 38.195 | 2.120 |
High resolution limit [Å] | 1.998 | 5.950 | 1.998 |
Rmerge | 0.124 | 0.036 | 0.933 |
Rmeas | 0.133 | 0.039 | 1.008 |
Number of reflections | 53265 | 2330 | 9082 |
<I/σ(I)> | 12.07 | 32.93 | 2.19 |
Completeness [%] | 92.0 | 97.6 | 98.4 |
Redundancy | 7.13 | 6.65 | 6.976 |
CC(1/2) | 0.997 | 0.999 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 298 | 1:1 10mg/mL AbsH3, 200mM sodium chrloide, 20mM HEPES pH 7.5 and 22% PEG3350, 20mM Magnesium chloride, 100mM HEPES pH 7.4 |