5VWS

Ligand free structure of Cytochrome P450 TbtJ1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	95.316, 95.316, 126.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.221 - 2.411
R-factor	0.212
Rwork	0.208
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wio
RMSD bond length	0.009
RMSD bond angle	1.020
Data reduction software	KYLIN
Data scaling software	KYLIN
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	27.221
High resolution limit [Å]	2.410
Rmerge	0.010
Number of reflections	21196
<I/σ(I)>	6
Completeness [%]	91.4
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	1 M (NH4)2SO4 1 % PEG 3350 0.1 M Bis-Tris pH 5.5