6GUW

BTB domain of zebrafish PATZ1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-31
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	43.080, 43.080, 123.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.213 - 1.800
R-factor	0.2156
Rwork	0.215
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1buo
RMSD bond length	0.007
RMSD bond angle	0.965
Data reduction software	xia2
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.220	1.865
High resolution limit [Å]	1.800	1.800
Rmerge	0.013	0.487
Rpim	0.013
Number of reflections	12786	1120
<I/σ(I)>	19.96	1.27
Completeness [%]	98.4	87.99
Redundancy	2	1.8
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	40% v/v PEG 500* MME; 20 % w/v PEG 20000; 0.1M Tris pH 8.5; 0.06M Magnesium chloride hexahydrate; 0.06 M Calcium chloride dihydrate