7TTA

P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation, attenuated beam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953700
Spacegroup name	P 32 2 1
Unit cell lengths	70.051, 70.051, 132.668
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.767 - 2.001
R-factor	0.1998
Rwork	0.198
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PHYRE Model
RMSD bond length	0.008
RMSD bond angle	2.585
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.767	2.073
High resolution limit [Å]	2.001	2.001
Rmerge	0.053	0.053
Rmeas	0.075	0.635
Number of reflections	25756	4458
<I/σ(I)>	8.1
Completeness [%]	99.0	96
Redundancy	1.9	1.8
CC(1/2)	0.997	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1 M MMT, 25% PEG1500