6LAA

Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-10
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9998
Spacegroup name	P 43 21 2
Unit cell lengths	94.715, 94.715, 242.641
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.110 - 2.130
R-factor	0.1698
Rwork	0.168
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gii
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.210
High resolution limit [Å]	2.130	4.580	2.130
Rmerge	0.110	0.046	1.502
Rmeas	0.113	0.048	1.553
Rpim	0.028	0.012	0.387
Total number of observations	1025951
Number of reflections	62367	6604	6151
<I/σ(I)>	6
Completeness [%]	99.7	98.6	100
Redundancy	16.5	15	15.2
CC(1/2)		0.999	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	298	Na/K phosphate, glycerol