5F6W

Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2015-06-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	51.160, 35.377, 57.810
Unit cell angles	90.00, 112.23, 90.00

Refinement procedure

Resolution	30.239 - 1.699
R-factor	0.1745
Rwork	0.172
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u9b
RMSD bond length	0.006
RMSD bond angle	1.074
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.699	1.699
Rmerge	0.047	0.200
Number of reflections	20956
<I/σ(I)>	44.5	5.4
Completeness [%]	97.8	79
Redundancy	3.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1M Tris pH 8.5, 8% (w/v) polyethylene glycol