8BZQ

Beta-1,4-D-endoglucanase Cel45A from Gloeophyllum trabeum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976254
Spacegroup name	P 1 21 1
Unit cell lengths	28.970, 48.410, 45.790
Unit cell angles	90.00, 92.21, 90.00

Refinement procedure

Resolution	45.760 - 1.300
R-factor	0.1663
Rwork	0.166
R-free	0.18260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kjo
RMSD bond length	0.005
RMSD bond angle	0.926
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.760	1.346
High resolution limit [Å]	1.300	1.300
Rmeas	0.180	0.187
Number of reflections	31123	3078
<I/σ(I)>	8.9	9.51
Completeness [%]	99.7	99.26
Redundancy	12.84	6.9
CC(1/2)	0.980	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M HEPES 7.5, 20% PEG 3350, 3mM NiCl2, protein 14 mg/mL