3WSU

Crystal structure of beta-mannanase from Streptomyces thermolilacinus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-11
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	65.864, 100.846, 105.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.473 - 1.600
R-factor	0.1608
Rwork	0.160
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bqc
RMSD bond length	0.008
RMSD bond angle	1.188
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (dev_1426)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.846	50.000	1.700
High resolution limit [Å]	1.600	4.780	1.600
Rmerge	0.180	0.042	0.812
Rmeas		0.046	0.913
Number of reflections	90737	3363	14792
<I/σ(I)>	9.96	32.9	2.25
Completeness [%]	97.5	89.5	99.3
Redundancy	5.06

Crystallization Conditions

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