6QLH

Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate

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	142.124, 142.124, 142.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.020 - 1.570
R-factor	0.1785
Rwork	0.177
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zaf
RMSD bond length	0.004
RMSD bond angle	0.757
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]	24.020	1.626
High resolution limit [Å]	1.570	1.570
Rmerge	0.106
Number of reflections	33160
<I/σ(I)>	10.09
Completeness [%]	99.2
Redundancy	6.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	SG1 screen (Molecular Dimensions) F4 1 M sodium citrate tribasic dihydrate, 0.1 M sodium cacodylate, pH 6.5