7CL7

Substrate-free structure of CYP154C2 from Streptomyces avermitilis in an open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	298
Detector technology	PIXEL
Collection date	2019-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	53.980, 80.040, 121.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.350 - 1.950
R-factor	0.19946
Rwork	0.197
R-free	0.24252
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l69
RMSD bond length	0.009
RMSD bond angle	1.639
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.085	0.866
Number of reflections	39084	5623
<I/σ(I)>	17	3.2
Completeness [%]	100.0	99.9
Redundancy	11.8	12.1
CC(1/2)	0.999	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.06 M Divalents, 0.1 M Buffer System 2 pH 7.5, 50% v/v Precipitant mix 1