4BLB

Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-24
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	116.300, 137.600, 116.540
Unit cell angles	90.00, 105.49, 90.00

Refinement procedure

Resolution	19.985 - 2.800
R-factor	0.1977
Rwork	0.197
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB SUBMISSION 56660
RMSD bond length	0.007
RMSD bond angle	0.999
Data reduction software	xia2 (- XDS)
Data scaling software	xia2 (- XDS)
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.730	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.060	0.770
Number of reflections	85233
<I/σ(I)>	10.4	1.4
Completeness [%]	98.2	98.4
Redundancy	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	PROTEIN (10 MG/ML IN 10 MM TRIS-HCL PH 7.5, 50 MM NACL, 1 MM DTT, 1 MM MALTOSE) WAS MIXED IN A 1:1 MOLAR RATIO WITH ZN(OAC)2 AND A 1:4 MOLAR RATIO WITH GLI1 PEPTIDE. THE COMPLEX WAS CRYSTALLISED BY HANGING DROP VAPOUR DIFFUSION AT 4C WITH 1:1 OR 2:1 DROPS OF PROTEIN:WELL SOLUTION (14-18% (V/V) PEG 3350, AND 0.2 M NA FORMATE)