5T7J

X-ray crystal structure of AA13 LPMO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9334
Spacegroup name	P 21 21 21
Unit cell lengths	47.040, 61.490, 73.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.650
R-factor	0.12611
Rwork	0.123
R-free	0.19879
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4opb
RMSD bond length	0.018
RMSD bond angle	1.714
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.720
High resolution limit [Å]	1.650	1.650
Rmeas	0.088	0.706
Number of reflections	26074
<I/σ(I)>	17.96	2.11
Completeness [%]	98.7	90.2
Redundancy	6.65	4.02

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	20%(v/v)PEG3000 0.2M Zn-acetate 0.1M Malate/MES/TRIS pH5.0