4M24

Crystal structure of the endo-1,4-glucanase, RBcel1, in complex with cellobiose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979718
Spacegroup name	P 21 21 21
Unit cell lengths	51.700, 63.250, 98.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.112 - 1.386
R-factor	0.1263
Rwork	0.124
R-free	0.14890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gzj
RMSD bond length	0.008
RMSD bond angle	1.177
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER ((phenix.automr: 1.8.2_1309))
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.260	1.440
High resolution limit [Å]	1.386	1.390
Rmerge	0.068	0.690
Number of reflections	64593
<I/σ(I)>	30.3	4.3
Completeness [%]	97.6	93.3
Redundancy	13.8	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	RBCel1 in 20 mM NaPi pH 6.5 and cellobiose 1% , was mixed 2:2 with well buffer (100mM Tris HCl pH 6.0 with 20 % w/v polyethylene glycol 600) using the hanging drop method with 500mL well buffer in the well of the crystallization tray, VAPOR DIFFUSION, HANGING DROP, temperature 292K