6MJ9

CRYSTAL STRUCTURE OF UBIQUITIN-CONJUGATING ENZYME FROM NAEGLERIA FOWLERI, APO FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-13
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	37.300, 42.870, 89.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.700 - 1.850
R-factor	0.187
Rwork	0.183
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v0r
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14RC2_3191)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.045	0.589
Number of reflections	12875
<I/σ(I)>	30.4	2.94
Completeness [%]	99.9	99.9
Redundancy	9.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	MORPHEUS E9 (50 MM TRIS-HCL, 50 MM BICINE PH 8.5, 30 MM DIETHYLENE GLYCOL; 30 MM TRIETHYLENE GLYCOL; 30 MM TETRAETHYLENE GLYCOL; 30 MM PETAETHYLENE GLYCOL; 20% GLYCEROL; 10% PEG 4000, TRAY 303865 PUCK RBT2-03, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K