6IGY

Crystal structure of Aspergillus niger chitinase B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97775
Spacegroup name	P 21 21 21
Unit cell lengths	62.095, 74.956, 99.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.818 - 1.948
R-factor	0.171
Rwork	0.169
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wno
RMSD bond length	0.004
RMSD bond angle	0.610
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.948	1.948
Number of reflections	34419
<I/σ(I)>	5.3
Completeness [%]	99.8
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	100 mM HEPES sodium, 800 mM potassium sodium tartrate tetrahydrate.