6WPL

Structure of Cytochrome P450tcu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	35.420, 56.993, 189.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.417 - 2.097
R-factor	0.196
Rwork	0.193
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cp4
RMSD bond length	0.008
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.870	2.160
High resolution limit [Å]	2.097	2.097
Rmerge	0.298	2.103
Rmeas	0.330	2.380
Rpim	0.139	1.084
Total number of observations		8816
Number of reflections	23044	1754
<I/σ(I)>	4.7	2.2
Completeness [%]	98.6	94.7
Redundancy	5.7	5
CC(1/2)	0.939	0.293

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	50-100 mM Bis-Tris (pH=6.5), 100mM MgCl2.6H2O, 15-20% w/v PEG 3350