7PU1

High resolution X-ray structure of Thermoascus aurantiacus LPMO

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9538
Spacegroup name	P 1 21 1
Unit cell lengths	37.653, 89.046, 70.470
Unit cell angles	90.00, 103.33, 90.00

Refinement procedure

Resolution	37.370 - 1.060
Rwork	0.117
R-free	0.11851
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yet
RMSD bond length	0.019
RMSD bond angle	2.304
Data reduction software	XDS
Data scaling software	TRUNCATE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.340	1.100
High resolution limit [Å]	1.060	1.060
Rmeas	0.054	0.440
Number of reflections	171807	12524
<I/σ(I)>	18.57	3.6
Completeness [%]	84.2
Redundancy	6.6
CC(1/2)	0.990	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES pH 7.5, 20m M MgCl2 and 22 %(w/v) polyacrylic acid 5100 sodium salt