6B1V

Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-13
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	P 43 21 2
Unit cell lengths	130.440, 130.440, 229.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	113.430 - 2.840
R-factor	0.2351
Rwork	0.234
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b0j
RMSD bond length	0.009
RMSD bond angle	1.402
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.400	2.890
High resolution limit [Å]	2.840	2.840
Rmerge		0.571
Rpim		0.071
Number of reflections	47557	4247
<I/σ(I)>		2.2
Completeness [%]		99.7
CC(1/2)		0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.65	291	PEG 3350, citric acid, arginine