6Q29

Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposted dose 2.5 MGy)

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)	1.0212
Spacegroup name	P 1 21 1
Unit cell lengths	50.550, 62.760, 67.120
Unit cell angles	90.00, 93.88, 90.00

Refinement procedure

Resolution	33.149 - 1.702
R-factor	0.1816
Rwork	0.180
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xu9
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	XSCALE (VERSION Jan 26, 2018)
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]	33.150	33.140	1.800
High resolution limit [Å]	1.700	5.060	1.700
Rmeas	0.420	0.025	0.160
Number of reflections	45669	6380	7341
<I/σ(I)>	24.44	47.87	8.7
Completeness [%]	99.2	98.4	98.44
Redundancy	3.68	3.6	3.62
CC(1/2)	0.990	0.999	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.5	277.15	20% PEG 4000, 20% 2-propanol, 100 mM Citrate buffer