6WE6

Camphor bound P450cam D251E structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-06-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	57.657, 62.204, 224.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.360 - 2.160
R-factor	0.2067
Rwork	0.204
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wk7
RMSD bond length	0.009
RMSD bond angle	1.064
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.15.2_3472)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.360	2.236
High resolution limit [Å]	2.158	2.160
Number of reflections	87694	44051
<I/σ(I)>	8.09
Completeness [%]	98.5	90.24
Redundancy	2
CC(1/2)	0.995	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	50 mM Tris, 10% PEG 4000, 200 mM potassium chloride, 2 mM D-camphor