6W2K

Crystal structure of laccase from Thermus thermophilus HB27 in reducing conditions (Na2,S2,O2, 20 min)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0781
Spacegroup name	P 1 21 1
Unit cell lengths	72.250, 96.230, 72.290
Unit cell angles	90.00, 99.36, 90.00

Refinement procedure

Resolution	19.944 - 2.000
R-factor	0.1475
Rwork	0.145
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xu9
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (7.0.076)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.944	10.000	2.150
High resolution limit [Å]	2.000	6.000	2.000
Rmerge	0.066
Rmeas	0.081	0.031	0.230
Rpim	0.044
Number of reflections	64577	3284	24019
<I/σ(I)>	16.54	28.79	4.46
Completeness [%]	99.9	87.3	95
Redundancy	3.1	1.76	1.66
CC(1/2)	0.993	0.998	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8	277.15	20 mM Tris pH8, 100 mM HEPES pH 7.5, 65% MPD