5X2D

Crystal structure of DLC like domain of CsTAL3 (83-177aa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-16
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.100
Spacegroup name	C 2 2 21
Unit cell lengths	88.397, 154.082, 61.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.126 - 2.600
R-factor	0.228
Rwork	0.224
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAD structure
RMSD bond length	0.010
RMSD bond angle	1.582
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.3_1479)
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.089	0.037	0.304
Rmeas	0.095	0.039	0.331
Rpim	0.030	0.014	0.125
Number of reflections	12758
<I/σ(I)>	11.3
Completeness [%]	95.2	99.1	84.3
Redundancy	8.2	10.9	5.2
CC(1/2)		0.990	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295.15	170 mM MgSO4, 21 % PEG 3350