6TYR

Crystal structure of Laccase from Thermus thermophilus HB27 with a close conformation of its beta-hairpin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-25
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	61.445, 85.386, 169.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.290 - 1.813
R-factor	0.1831
Rwork	0.181
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xu9
Data reduction software	HKL-2000
Data scaling software	SCALEPACK (7.0.076)
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]	42.290	42.290	1.880
High resolution limit [Å]	1.810	3.910	1.810
Rmerge	0.031	0.013	0.347
Rmeas	0.043	0.018	0.491
Rpim	0.031	0.013	0.347
Number of reflections	39303	4263	3430
<I/σ(I)>	25.62	91.3	2.9
Completeness [%]	96.5	99.8	85.4
Redundancy	1.9	2	1.9
CC(1/2)	0.999	0.999	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	277.15	20% PEG 4000, 20% 2-propanol, 100 mM sodium citrate pH 5.5