2BVY

The structure and characterization of a modular endo-beta-1,4-mannanase from Cellulomonas fimi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-05-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	74.250, 82.000, 95.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.650 - 2.250
R-factor	0.193
Rwork	0.193
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j9y
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.060	0.380
Number of reflections	28207
<I/σ(I)>	22.3	2.8
Completeness [%]	98.8	96.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		30% W/V PEG8000 0.1M SODIUM CACODYLATE PH 6.5 0.2M SODIUM ACETATE TRIHYDRATE