6HQW

Cytochrome P450-153 from Novosphingobium aromaticivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-15
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	P 32
Unit cell lengths	113.133, 113.133, 72.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	97.980 - 2.900
R-factor	0.24989
Rwork	0.248
R-free	0.29883
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rwl
RMSD bond length	0.009
RMSD bond angle	1.368
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.980	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.061	0.604
Number of reflections	22850	3723
<I/σ(I)>	12.6	2.4
Completeness [%]	98.7	99.6
Redundancy	3.2	3.3
CC(1/2)	0.947	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1 M Hepes, 10% w/v PEG8000