6ZQ1

Structure of AraDNJ-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	59.803, 65.914, 193.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.870 - 1.700
Rwork	0.195
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zps
RMSD bond length	0.011
RMSD bond angle	1.666
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.870	1.730
High resolution limit [Å]	1.700	1.700
Rpim	0.028	0.281
Number of reflections	85172	4409
<I/σ(I)>	15.9	2.1
Completeness [%]	99.9	99.4
Redundancy	34.5	16.3
CC(1/2)	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	10 mg/mL MgGH51 in 10 mM NaOAc, pH 5.5, 100 mM NaCl mixed 2:1 with 20% PEG 3350, 0.1 M Bis-Tris-HCl, pH 6.5, 0.2 M NaNO3