7WEX

The crystal structure of substrate-free CYP107X1 from Streptomyces avermitilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	298
Detector technology	CCD
Collection date	2021-05-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9785
Spacegroup name	P 63
Unit cell lengths	83.381, 83.381, 93.805
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.730 - 1.990
R-factor	0.181
Rwork	0.178
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2whw
RMSD bond length	0.008
RMSD bond angle	1.581
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.990	1.990
Number of reflections	25483	25483
<I/σ(I)>	31.5
Completeness [%]	100.0
Redundancy	19.2
CC(1/2)	0.985	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate (pH 6.5) and 20% w/v polyethylene glycol 8000