1GW1

Substrate distortion by beta-mannanase from Pseudomonas cellulosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-15
Detector	ADSC CCD
Spacegroup name	P 41
Unit cell lengths	93.488, 93.488, 53.719
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.14
Rwork	0.138
R-free	0.16700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j9y
RMSD bond length	0.011
RMSD bond angle	1.347
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.066	0.264
Number of reflections	54188
<I/σ(I)>	19	9.3
Completeness [%]	100.0	99
Redundancy	4.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *		Hogg, D., (2001) J.Biol.Chem., 276, 31186. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG550 MME	26 (%)
2	1	reservoir	zinc sulfate	0.012 (M)
3	1	reservoir	MES	0.1 (M)