5MEJ

Structural study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi. First structure of the series with 3 min total X-ray exposition time.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-27
Detector	MAR CCD 165 mm
Wavelength(s)	0.81230
Spacegroup name	P 21 21 21
Unit cell lengths	56.370, 84.390, 112.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.570 - 1.500
R-factor	0.1405
Rwork	0.139
R-free	0.16147
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e9n
RMSD bond length	0.017
RMSD bond angle	1.826
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.600		1.650
High resolution limit [Å]	1.500	10.000	1.500
Rmerge	0.062	0.016	0.352
Number of reflections	84461
<I/σ(I)>	14.85	48.88	3.25
Completeness [%]	97.6	75.2	94.1
Redundancy	3.1
CC(1/2)	0.998	0.999	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	294	Protein solution (12mg/ml, 0.02M K-phosphate buffer, pH 6.5). Reservoir solution (0.1M citrate-phosphate buffer pH 4.0, 0.2M ammonium acetate, 25% PEG 4000).