5MHW

The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The fifth structure of the series with total exposition time 123 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, 84.410, 112.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.520 - 1.350
R-factor	0.13193
Rwork	0.131
R-free	0.14966
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mew
RMSD bond length	0.020
RMSD bond angle	1.970
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]	67.520	2.200	1.400
High resolution limit [Å]	1.350	1.900	1.350
Rmerge	0.046	0.044	0.303
Number of reflections	116923
<I/σ(I)>	20.03	27.25	4.81
Completeness [%]	98.8	99	98.4
Redundancy	3.1	3	3
CC(1/2)	0.999	0.998	0.904

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 acetat, 25% PEG 4000