6QLJ

Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP

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	141.887, 141.887, 141.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.160 - 1.770
R-factor	0.1778
Rwork	0.176
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zaf
RMSD bond length	0.012
RMSD bond angle	1.130
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]	50.160	1.830
High resolution limit [Å]	1.770	1.770
Rmerge	0.114
Number of reflections	23136
<I/σ(I)>	9.62
Completeness [%]	98.6
Redundancy	6.6
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	LMB screen (Molecular Dimensions) D7 15 % w/v PEG 3350, 0.1 M MES pH 6.2