3NOB

Structure of K11-linked di-ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	298
Detector technology	CCD
Collection date	2010-01-26
Detector	ADSC QUANTUM 315
Spacegroup name	C 1 2 1
Unit cell lengths	155.597, 56.059, 65.772
Unit cell angles	90.00, 95.21, 90.00

Refinement procedure

Resolution	29.230 - 2.190
R-factor	0.247
Rwork	0.245
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq
RMSD bond length	0.008
RMSD bond angle	0.932
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.190	2.190
Rmerge	0.057	0.460
Number of reflections	29153
<I/σ(I)>	18.7	3
Completeness [%]	99.9	99.9
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	292	25 mg/mL protein in 50 mM Tris 7.5 and 75 mM NaCl were grown in 0.2 M ammonium sulfate, 20% PEG3350. Seeds from this were further microseeded into 0.17 M Ammonium sulfate, 15% glycerol, 20% PEG 2000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 292K