5I78

Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	C 1 2 1
Unit cell lengths	161.273, 50.822, 75.310
Unit cell angles	90.00, 95.08, 90.00

Refinement procedure

Resolution	25.000 - 1.580
R-factor	0.1446
Rwork	0.143
R-free	0.17490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gzj
RMSD bond length	0.024
RMSD bond angle	2.179
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.640
High resolution limit [Å]	1.580	3.401	1.580
Rmerge	0.061	0.033	0.323
Rmeas	0.072
Rpim	0.039
Total number of observations	285183
Number of reflections	82837
<I/σ(I)>	20.4
Completeness [%]	99.6	98.9	99.9
Redundancy	3.4	3.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEG600, Ca(OAC)2, cacodylate