6R2J

Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A 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	2012-05-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9796
Spacegroup name	P 1 21 1
Unit cell lengths	70.250, 82.820, 104.680
Unit cell angles	90.00, 91.97, 90.00

Refinement procedure

Resolution	48.190 - 1.440
R-factor	0.181
Rwork	0.179
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lx4
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (V.1.14-3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.190	48.190
High resolution limit [Å]	1.440	1.440
Rmerge	0.065	0.352
Rmeas	0.070	0.040
Total number of observations	1462858
Number of reflections	216633	2482
<I/σ(I)>	19.06	5.11
Completeness [%]	99.1	96.4
Redundancy	6.753	5.97
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	Ps_Cel5A (27 microM) in 50 mM sodium phosphate pH 7.0, was mixed 1:1 with 100 mM tris pH 5.9 22.5 % PEG600 0.1 % cellobiose. The crystal was soaked 1 hour in 100 mM Tris pH 5.9 30% PEG600.