6WCM

Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposited dose 15.50 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)	1.1949
Spacegroup name	P 1 21 1
Unit cell lengths	54.436, 60.817, 76.235
Unit cell angles	90.00, 109.34, 90.00

Refinement procedure

Resolution	39.240 - 1.700
R-factor	0.1986
Rwork	0.197
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xu9
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER (7.0.076)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.240	38.840	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.050	0.027	0.653
Rmeas	0.071	0.038	0.924
Rpim	0.050	0.027	0.653
Number of reflections	51812	5306	5144
<I/σ(I)>	7.1	16.9	1.3
Completeness [%]	100.0	100	100
Redundancy	1.9	1.9	1.3
CC(1/2)	0.996	0.996	0.451

Crystallization Conditions

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