7F8R

Crystal structure of human soluble CLIC1 with catalytic cysteine (Cys24) in sulphonic acid form.

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	2013-10-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	42.020, 70.655, 82.412
Unit cell angles	90.00, 90.13, 90.00

Refinement procedure

Resolution	42.060 - 2.510
R-factor	0.1781
Rwork	0.175
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k0m
RMSD bond length	0.009
RMSD bond angle	1.602
Data reduction software	XDS (Feb 5, 2021 (BUILT 20210323))
Data scaling software	autoPROC (0.7.4)
Phasing software	PHENIX (1.16-3549)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.412	82.412	2.549
High resolution limit [Å]	2.503	6.869	2.503
Rmerge	0.062	0.029	0.442
Rmeas	0.071	0.034	0.509
Rpim	0.035	0.017	0.249
Total number of observations	66696	3023	3256
Number of reflections	16309	814	815
<I/σ(I)>	16.2	37.1	3.2
Completeness [%]	97.2	97.4	94
Redundancy	4.1	3.7	4
CC(1/2)	0.998	0.999	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.02M Sodium potassium phosphate, 0.1M Bis-Tris propane pH 6.5, 20% PEG 3350