6L3A

Cytochrome P450 107G1 (RapN) with everolimus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 1 21 1
Unit cell lengths	63.028, 126.142, 70.099
Unit cell angles	90.00, 116.46, 90.00

Refinement procedure

Resolution	44.490 - 3.000
R-factor	0.2457
Rwork	0.241
R-free	0.33550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z5p
RMSD bond length	0.006
RMSD bond angle	1.630
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	41761	41761
<I/σ(I)>	18.3	18.3
Completeness [%]	97.3
Redundancy	3.2
CC(1/2)	0.890	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287.15	0.1 M sodium cacodylate, 0.2 M magnesium acetate tetrahydrate, 20% polyethylene glycol 8000