6G5Q
The structure of a carbohydrate active P450
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.7 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.024, 67.878, 199.653 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 99.830 - 2.400 |
R-factor | 0.17403 |
Rwork | 0.172 |
R-free | 0.21670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g5o |
RMSD bond length | 0.013 |
RMSD bond angle | 1.602 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.840 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 34391 | |
<I/σ(I)> | 10.1 | 2.4 |
Completeness [%] | 99.9 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20 % PEG 3350 150 mM NaCl |