6VZB

Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	P 2 21 21
Unit cell lengths	42.236, 91.208, 93.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 1.680
R-factor	0.1708
Rwork	0.169
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vxv
RMSD bond length	0.010
RMSD bond angle	1.207
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.730	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.118	1.041
Rmeas	0.128	1.128
Rpim	0.049	0.429
Number of reflections	41405	2011
<I/σ(I)>	12.1	1.8
Completeness [%]	98.4
Redundancy	6.7
CC(1/2)	0.998	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M calcium chloride, 20% w/v PEG3350