5NKW

X-ray crystal structure of an AA9 LPMO

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	2016-02-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.96862
Spacegroup name	P 41 3 2
Unit cell lengths	125.290, 125.290, 125.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.480
R-factor	0.12566
Rwork	0.123
R-free	0.17043
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ach
RMSD bond length	0.026
RMSD bond angle	2.337
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.520
High resolution limit [Å]	1.480	1.480
Rmeas	0.133	3.240
Number of reflections	56345	7879
<I/σ(I)>	24.72
Completeness [%]	100.0	100
Redundancy	37.59	25.33
CC(1/2)	1.000	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	298	3.3 M NaCl, 0.1 M citric acid pH3.5, (Soaked in pH 5.5)