5X7G

Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2016-03-09
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	113.680, 113.680, 121.635
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	98.450 - 2.200
R-factor	0.17666
Rwork	0.174
R-free	0.22164
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wnk
RMSD bond length	0.011
RMSD bond angle	1.434
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.096	0.848
Rpim	0.021	0.184
Number of reflections	46942	4611
<I/σ(I)>	32.1	4.9
Completeness [%]	100.0	100
Redundancy	22.1	22.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	25% PEG3350, 12% Tacsimate