4M1N

Crystal structure of Plasmodium falciparum ubiquitin conjugating enzyme UBC9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1271
Spacegroup name	C 2 2 21
Unit cell lengths	85.190, 90.770, 122.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.059 - 1.500
R-factor	0.1651
Rwork	0.164
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jue
RMSD bond length	0.007
RMSD bond angle	1.195
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.000	31.000	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.126
Number of reflections	76146
<I/σ(I)>	8.6
Completeness [%]	100.0	95.6	99
Redundancy	7.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M NaF, 20% PEG3350 Cryo: 30% PEG3350, 10% glycerol, 0.2M NaF, 100mM glycine, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K