5MEW

The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi. Second structure of the series with total exposition time 33 min.

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	56.380, 84.400, 112.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.350
R-factor	0.13263
Rwork	0.132
R-free	0.15228
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e9n
RMSD bond length	0.021
RMSD bond angle	2.032
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	2.200	1.400
High resolution limit [Å]	1.350	1.900	1.350
Rmerge	0.048	0.046	0.296
Number of reflections	117126
<I/σ(I)>	19.3	26.15	4.91
Completeness [%]	99.0	99.4	98.6
Redundancy	3.2	3.1	3
CC(1/2)	0.999	0.998	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	294	Protein solution (12mg/ml, 002M K-phosphate buffer, pH 6.5). Reservoir solution 0.1M citrate-phosphate buffer pH4.0, 0.2M ammonium acetate, 25% PEG 4000