4WU0

Structural Analysis of C. acetobutylicum ATCC 824 Glycoside Hydrolase From Family 105

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	53.291, 93.601, 156.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 1.600
R-factor	0.1378
Rwork	0.137
R-free	0.16280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nc5
RMSD bond length	0.009
RMSD bond angle	1.225
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900
High resolution limit [Å]	1.600
Rmerge	0.086	0.611
Total number of observations		10151
Number of reflections	103657
<I/σ(I)>	29.345	4.511
Completeness [%]	99.8
Redundancy	5.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.75	294	0.1 M TRIS, 16% w/v polyethylene glycol 4,000