9NJW

Structure of ancestral-reconstructed cytochrome P450 11A1 (CYP11A1) in complex with cholesterol

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	2024-02-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	I 21 3
Unit cell lengths	155.894, 155.894, 155.894
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.970 - 2.400
R-factor	0.2297
Rwork	0.227
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.515
Data reduction software	autoXDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.970	2.520
High resolution limit [Å]	2.390	2.390
Rpim	0.019	0.611
Number of reflections	25022	3562
<I/σ(I)>	22.8	2
Completeness [%]	99.7	98.2
Redundancy	40.7	38.7
CC(1/2)	1.000	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.1 M Sodium chloride, 0.1 M Bis-tris propane pH 9.0, 20.5% w/v Polyethylene glycol 1,500