2X2Y

Cellulomonas fimi endo-beta-1,4-mannanase double mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-30
Detector	MARRESEARCH SX-165
Spacegroup name	P 21 21 21
Unit cell lengths	73.093, 99.555, 132.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.430 - 2.350
R-factor	0.15997
Rwork	0.158
R-free	0.19935
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bvy
RMSD bond length	0.009
RMSD bond angle	1.096
Data reduction software	MOSFLM (VERSION 7.0.1)
Data scaling software	SCALA (3.2.5)
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.430	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.110	0.380
Number of reflections	41120
<I/σ(I)>	6.6	2.1
Completeness [%]	99.8	99.9
Redundancy	6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.9		VAPOR DIFFUSION. PROTEIN SOLUTION (8.4 MG/ML) IN 50 MM SODIUM CITRATE BUFFER, PH 6.0. RESERVOIR CONDITIONS: 0.2 M MAGNESIUM FORMATE, PH 5.9, 20% PEG 3350