6N6Q

Crystal structure of a Cytochrome P450 (CYP102L1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.734
Spacegroup name	I 2 2 2
Unit cell lengths	119.899, 174.090, 203.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.560 - 2.500
R-factor	0.233229845074
Rwork	0.230
R-free	0.28870
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.507
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.560	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.056	0.825
Number of reflections	73160	7248
<I/σ(I)>	7.55	0.83
Completeness [%]	99.2	99.49
Redundancy	2	2
CC(1/2)	0.994	0.396

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M Sodium Cacodylate pH 6.5, 1.26 M AmSO4, 4.2 % (v/v) Dextran Sulfate