4LDT

The structure of h/ceOTUB1-ubiquitin aldehyde-UBCH5B~Ub

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	77
Detector technology	CCD
Collection date	2012-03-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	104.894, 131.612, 46.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.650 - 1.901
R-factor	0.19342
Rwork	0.192
R-free	0.22318
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dhz
RMSD bond length	0.009
RMSD bond angle	1.248
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.7.0029)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.650	1.930
High resolution limit [Å]	1.901	1.901
Number of reflections	51582
<I/σ(I)>	8.5	1.7
Completeness [%]	99.0	95.4
Redundancy	8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	1:1 mix of 12 mg/mL purified complex and well solution (100 mM Bis-Tris, pH 6.0, 200 mM magnesium chloride, 22% PEG3350), crystals appeared in about 2 to 3 days, cryoprotection with well solution + 10% ethylene glycol, flash frozen in liquid nitrogen, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K