8UKZ

Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation

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	2022-07-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	61.957, 94.480, 105.985
Unit cell angles	90.00, 92.68, 90.00

Refinement procedure

Resolution	47.240 - 1.950
R-factor	0.2055
Rwork	0.205
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.685
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.240	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	88780	8823
<I/σ(I)>	5.68
Completeness [%]	99.9
Redundancy	3.5
CC(1/2)	0.995	0.257

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.1 M MES pH 6.5, 12% PEG400 and 14% PEG 20K