5BU9

Crystal structure of Beta-N-acetylhexosaminidase from Beutenbergia cavernae DSM 12333

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97921
Spacegroup name	P 31 2 1
Unit cell lengths	146.510, 146.510, 85.487
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.825 - 2.255
R-factor	0.1603
Rwork	0.158
R-free	0.19770
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.346
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((dev-2056_1692: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.106	0.061	0.814
Rmeas	0.113	0.065	0.860
Rpim	0.036	0.021	0.275
Total number of observations	478592
Number of reflections	50001
<I/σ(I)>	7.3
Completeness [%]	100.0	99.6	100
Redundancy	9.6	9.8	9.7
CC(1/2)		0.997	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.1 M Bis-Tris Propane, 2.2 MDL-malic acid pH 7.0