8C05
LOV-activated diguanylate cyclase, dark-state structure
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 | 2021-11-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03312 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 56.350, 56.350, 318.040 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.800 - 2.500 |
R-factor | 0.2569 |
Rwork | 0.255 |
R-free | 0.29780 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.393 |
Data reduction software | XDS (1.02) |
Data scaling software | XSCALE (VERSION Feb 5, 2021 BUILT=20210323) |
Phasing software | PHASER (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmeas | 0.060 | 0.820 |
Number of reflections | 11310 | 1202 |
<I/σ(I)> | 27.21 | 4.39 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 4.5 | 5.36 |
CC(1/2) | 1.000 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Sodium formate, 0.1 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate, 0.1 M Potassium sodium tartrate tetrahydrate, 0.1 M Sodium oxamate, 0.1 M Sodium HEPES; MOPS (acid), pH 7.5, 20% v/v Glycerol; 10% w/v PEG 4000 |