4BLD

Crystal structure of a human Suppressor of fused (SUFU)-GLI3p 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	116.610, 136.550, 116.740
Unit cell angles	90.00, 105.25, 90.00

Refinement procedure

Resolution	19.940 - 2.802
R-factor	0.2019
Rwork	0.201
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bl9
RMSD bond length	0.006
RMSD bond angle	1.142
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]	46.360	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.070	0.670
Number of reflections	85722
<I/σ(I)>	9.6	1.6
Completeness [%]	99.0	95.7
Redundancy	3.4	3.4

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 GLI3 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)