7ZB9

Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole in the absence of glycerol (NoCryo)

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	2018-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	51.540, 75.080, 56.560
Unit cell angles	90.00, 106.96, 90.00

Refinement procedure

Resolution	29.500 - 1.150
R-factor	0.1316
Rwork	0.130
R-free	0.15660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6t0f
RMSD bond length	0.010
RMSD bond angle	1.125
Data reduction software	XDS (20180409)
Data scaling software	XSCALE (20180409)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.500	29.500	1.180
High resolution limit [Å]	1.150	5.150	1.150
Rmeas	0.152	0.084	1.070
Number of reflections	144678	1664	10311
<I/σ(I)>	6.97	23.88	1.26
Completeness [%]	99.4	98.8	96.2
Redundancy	6.3	6.5	5.4
CC(1/2)	0.996	0.993	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Mg(Cl)2, 0.1 M Bis-Tris, 25 % PEG 3350