7Q1K

Crystal structure of the native AA9A LPMO from Thermoascus aurantiacus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	37.690, 64.191, 88.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.270 - 1.360
R-factor	0.1523
Rwork	0.150
R-free	0.18520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yet
RMSD bond length	0.005
RMSD bond angle	0.866
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.360	1.410
High resolution limit [Å]	1.360	1.360
Rmeas	0.218	2.900
Rpim	0.059	1.203
Number of reflections	43359	2631
<I/σ(I)>	9.1	0.8
Completeness [%]	92.6	58.5
Redundancy	12.9
CC(1/2)	0.998	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M ammonium sulfate, 0.1 M HEPES-NaOH pH 7.5, 25% w/v PEG 3350