7FBQ

Human CLIC1 in complex with NSC602247

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	2017-06-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.004, 67.344, 81.375
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.655 - 1.800
R-factor	0.1898
Rwork	0.183
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k0m
RMSD bond length	0.008
RMSD bond angle	0.850
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.4 (11-DEC-2020))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.655	10.000	1.835
High resolution limit [Å]	1.800	5.102	1.800
Rmerge	0.088		0.712
Rpim	0.026		0.211
Number of reflections	20809	1040	1041
<I/σ(I)>	2.32		3.5
Completeness [%]	94.5	99	84.4
Redundancy	12.6	11.2	11.6
CC(1/2)	0.999	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	Protein: 25mg/ml in 50 mM Tris-HCl, 150 mM NaCl, Reservoir: 150 mM MgCL2, 21.5% PEG 6000, 100 mM MES pH 6.5