2X1I

glycoside hydrolase family 77 4-alpha-glucanotransferase from thermus brockianus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	294
Detector technology	CCD
Collection date	2008-12-05
Detector	ADSC CCD
Spacegroup name	P 65 2 2
Unit cell lengths	104.357, 104.357, 263.759
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.930 - 2.360
R-factor	0.215
Rwork	0.215
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2owc
RMSD bond length	0.006
RMSD bond angle	1.200
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.930	2.440
High resolution limit [Å]	2.360	2.360
Rmerge	0.090	0.360
Number of reflections	35592
<I/σ(I)>	34.06	5.36
Completeness [%]	99.8	96
Redundancy	21.4	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.1M BIS-TRIS PH6.5, 45% PPGP400, 12% INOSITOL(ADDITIVE)