6CYR

Crystal structure of the UBE2A variant Q93E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45868
Spacegroup name	P 21 21 21
Unit cell lengths	37.511, 52.419, 88.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.113 - 2.200
R-factor	0.2061
Rwork	0.204
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cyo
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.113	45.110	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.098	0.030	1.289
Rmeas	0.107	0.033	1.466
Rpim	0.044	0.014	0.683
Number of reflections	9371	170	770
<I/σ(I)>	11.3
Completeness [%]	99.9	99.8	99.7
Redundancy	5.8	5.1	4.4
CC(1/2)	0.998	0.999	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	50 mM di-Sodium succinate pH 7.0 and 12-14% PEG 3350