3QR3

Crystal Structure of Cel5A (EG2) from Hypocrea jecorina (Trichoderma reesei)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	293.15
Detector technology	PIXEL
Collection date	2011-01-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	P 21 21 21
Unit cell lengths	82.953, 84.593, 90.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.767 - 2.050
R-factor	0.1652
Rwork	0.163
R-free	0.20480
RMSD bond length	0.007
RMSD bond angle	0.987
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.770	39.767	2.160
High resolution limit [Å]	2.050	6.480	2.050
Rmerge		0.040	0.268
Number of reflections	40013
<I/σ(I)>	19.2	11.8	2.8
Completeness [%]	98.8	99.6	92.4
Redundancy	12.5	12.1	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1 M Sodium citrate, 1 M Magnesium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K