6QLK

Crystal structure of F181H UbiX in complex with prFMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	F 2 3
Unit cell lengths	141.751, 141.751, 141.751
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.440 - 1.780
R-factor	0.1888
Rwork	0.188
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zaf
RMSD bond length	0.007
RMSD bond angle	1.015
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.440	1.844
High resolution limit [Å]	1.780	1.780
Rmerge	0.082
Number of reflections	22624
<I/σ(I)>	12.99
Completeness [%]	98.9
Redundancy	6.6
CC(1/2)	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	LMB screen (Molecular Dimensions) condition F2 16 % w/v PEG 4000, 20 % v/v glycerol, 0.1 M sodium citrate pH 5.8, 0.1 M ammonium sulphate