4J6T

Crystal Structure of Tyrosinase from Bacillus megaterium F197A mutant

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	2011-11-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9393
Spacegroup name	P 1 21 1
Unit cell lengths	55.010, 78.810, 84.340
Unit cell angles	90.00, 106.62, 90.00

Refinement procedure

Resolution	27.481 - 2.430
R-factor	0.1983
Rwork	0.196
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nm8
RMSD bond length	0.016
RMSD bond angle	1.186
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.817	27.481	2.560
High resolution limit [Å]	2.430	7.680	2.430
Rmerge	0.104	0.075	0.169
Total number of observations		2646	10812
Number of reflections	26006
<I/σ(I)>	7.3	7.4	3.8
Completeness [%]	99.4	94.2	98.1
Redundancy	3.1	3.3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M sodium cacodylate, pH 6.5, 18% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K