3ICU

Protease-associated domain of the E3 ligase grail

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-06-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 43 21 2
Unit cell lengths	65.795, 65.795, 136.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.19576
Rwork	0.195
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ek8 1xf1
RMSD bond length	0.013
RMSD bond angle	1.768
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	18428
<I/σ(I)>	30.7647	3.633
Completeness [%]	100.0	99.9
Redundancy	11.6	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290.9	20% PEG 3350, 0.2 M NaH2PO4. PH 8.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290.9K