4EE9

Crystal structure of the RBcel1 endo-1,4-glucanase

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	2011-10-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	52.200, 63.090, 98.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.050 - 1.381
R-factor	0.156
Rwork	0.154
R-free	0.17650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.350
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER ((phenix.automr_1.6.4-486))
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.050	1.460
High resolution limit [Å]	1.380	1.380
Rmerge	0.061	0.640
Number of reflections	67782
<I/σ(I)>	20.5	3.3
Completeness [%]	99.0	94.5
Redundancy	9.5	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	17% PEG 600, 0.1M Tris-HCl pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K