4Y7E

Crystal structure of beta-mannanase from Streptomyces thermolilacinus with mannohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-21
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	65.709, 100.706, 104.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.462 - 1.500
R-factor	0.1464
Rwork	0.146
R-free	0.17270
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3wsu
RMSD bond length	0.011
RMSD bond angle	1.398
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1690)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.700		1.540
High resolution limit [Å]	1.450	4.330	1.450
Rmerge	0.097	0.030	0.591
Rmeas	0.110	0.033	0.710
Total number of observations	537026
Number of reflections	117826	4899	14802
<I/σ(I)>	12.29	41.76	1.87
Completeness [%]	95.4	99	75
Redundancy	4.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.1M sodium malonate pH 7.0, 0.1M HEPES pH 7.0, 0.5%(v/v) Jeffamine(R) ED-2001 pH 7.0