5U2O

Crystal structure of Zn-binding triple mutant of GH family 9 endoglucanase J30

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 65 2 2
Unit cell lengths	90.960, 90.960, 316.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.510 - 1.460
R-factor	0.14
Rwork	0.140
R-free	0.15100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	J30
RMSD bond length	0.007
RMSD bond angle	0.924
Data reduction software	xia2
Data scaling software	xia2 (0.3.8.0)
Phasing software	PHENIX
Refinement software	PHENIX (DEV_2447)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.510	1.500
High resolution limit [Å]	1.460	1.460
Rmerge	0.138	1.704
Number of reflections	134366
<I/σ(I)>	17.8	2.3
Completeness [%]	99.8	99.2
Redundancy	21.5	21.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	trisodium citrate dihydrate, 2-propanol, PEG 10,000