5I77

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	P 41 21 2
Unit cell lengths	63.096, 63.096, 148.214
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.800
R-factor	0.1878
Rwork	0.185
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gzj
RMSD bond length	0.020
RMSD bond angle	2.012
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	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.050	0.031	0.473
Rmeas	0.053
Rpim	0.019
Total number of observations	230041
Number of reflections	28592
<I/σ(I)>	11.7
Completeness [%]	99.6	98.3	99.4
Redundancy	8	7.2	8.4

Crystallization Conditions

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