34RH

Trametes ljubarski GH12 endoglucanase bound to xyloglucan (XXXG)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	101.950, 149.410, 50.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.110 - 2.050
R-factor	0.21263
Rwork	0.211
R-free	0.23949
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.110	42.110	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.229	0.030	4.797
Rmeas	0.248	0.032	5.175
Rpim	0.093	0.012	1.936
Number of reflections	24635	349	1911
<I/σ(I)>	9	47.5	0.6
Completeness [%]	100.0	99	100
Redundancy	13.3	11.7	13.6
CC(1/2)	0.998	0.998	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	50% MPD, 20%tBuOH