3G1N

Catalytic domain of the human E3 ubiquitin-protein ligase HUWE1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-21
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	176.530, 72.213, 77.238
Unit cell angles	90.00, 106.94, 90.00

Refinement procedure

Resolution	29.300 - 2.600
R-factor	0.21726
Rwork	0.214
R-free	0.27919
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nd7
RMSD bond length	0.008
RMSD bond angle	1.195
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0063)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	28536
<I/σ(I)>	10.851	1.96
Completeness [%]	98.9	91.8
Redundancy	3.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	15% PEG-4000, 10% ISOPROPANOL, 0.1 M TRIS BUFFER, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K