6VJG

Csx3-I222 Crystal Form at 1.8 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	53.450, 61.540, 70.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.250 - 1.800
R-factor	0.1902
Rwork	0.187
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wzg
RMSD bond length	0.006
RMSD bond angle	0.814
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.290	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.034	0.439
Rmeas	0.071
Rpim	0.032
Number of reflections	10996	510
<I/σ(I)>	27.305	2.87
Completeness [%]	98.9	96.4
Redundancy	4.8	4.1
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	45% 2-methyl-2,4-pentanediol, 0.1 M Tris pH 8.5, 0.2 M Ammonium Phosphate Monobasic