7FD6

Crystal structure of SmChiA in complex with 6a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97778
Spacegroup name	C 2 2 21
Unit cell lengths	132.525, 202.186, 59.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.920 - 1.790
R-factor	0.1669
Rwork	0.166
R-free	0.19020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1edq
RMSD bond length	0.003
RMSD bond angle	0.601
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.920	1.850
High resolution limit [Å]	1.786	1.786
Number of reflections	74412	6152
<I/σ(I)>	14.76
Completeness [%]	97.8
Redundancy	8.6
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277.15	0.75 M sodium citrate, 20% (v/v) methanol