3JUG

Crystal structure of endo-beta-1,4-mannanase from the alkaliphilic Bacillus sp. N16-5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-07-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	59.033, 63.312, 83.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.176 - 1.600
R-factor	0.1758
Rwork	0.174
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wky
RMSD bond length	0.007
RMSD bond angle	1.110
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.290	1.710
High resolution limit [Å]	1.600	1.600
Number of reflections	38945
Completeness [%]	92.7	65.44
Redundancy	4.68	1.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.5M Ammonium Sulphate, 0.1M sodium citrate, 1.2M Lithium Sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K