8QVS

Crystal structure of Ompk36 GD at 3500 eV based on a combination of spherical harmonics and analytical absorption corrections

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-05-21
Detector	DECTRIS PILATUS 12M
Wavelength(s)	3.54
Spacegroup name	C 1 2 1
Unit cell lengths	232.078, 74.700, 91.350
Unit cell angles	90.00, 112.21, 90.00

Refinement procedure

Resolution	107.430 - 2.340
R-factor	0.19473
Rwork	0.193
R-free	0.23277
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.450
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.430	2.424
High resolution limit [Å]	2.340	2.340
Number of reflections	60652	5634
<I/σ(I)>	24.92
Completeness [%]	98.9
Redundancy	11
CC(1/2)	0.998	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1M Lithium sulfate, 0.1M sodium citrate pH 5.6 and 12% PEG4000