6B0K

Crystal structure of Ps i-CgsB C78S in complex with k-carrapentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 43 21 2
Unit cell lengths	133.070, 133.070, 223.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	114.400 - 2.150
R-factor	0.2435
Rwork	0.242
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b0j
RMSD bond length	0.008
RMSD bond angle	1.342
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]	114.400	2.190
High resolution limit [Å]	2.150	2.150
Rmerge		1.145
Rpim		0.434
Number of reflections	106480	5335
<I/σ(I)>		2.3
Completeness [%]		99.1
Redundancy		15.3
CC(1/2)		0.878

Crystallization Conditions

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