6BIA

Crystal structure of Ps i-CgsB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-30
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	P 43 21 2
Unit cell lengths	133.850, 133.850, 223.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	114.860 - 2.800
R-factor	0.2397
Rwork	0.238
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b0k
RMSD bond length	0.008
RMSD bond angle	1.237
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	114.860	2.890
High resolution limit [Å]	2.800	2.800
Rmerge	0.143	0.587
Rpim	0.074	0.356
Number of reflections	50781	4582
<I/σ(I)>	13.7	2.3
Completeness [%]	99.8	99.8
Redundancy	7.4	5
CC(1/2)	0.993	0.912

Crystallization Conditions

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