8IN2
4,5-DOPA-extradiol-dioxygenase from Beta vulgaris
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.873, 95.873, 124.908 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.020 - 3.080 |
R-factor | 0.1725 |
Rwork | 0.167 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.218 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.210 |
High resolution limit [Å] | 3.080 | 3.080 |
Number of reflections | 12735 | 1254 |
<I/σ(I)> | 40.4 | |
Completeness [%] | 99.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.979 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.2M ammonium phosphate monobasic, 0.1M Tris pH8.5, 50% (w/v) MPD |