6L8H

Crystal structure of CYP97C1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	61.749, 127.322, 143.671
Unit cell angles	90.00, 92.22, 90.00

Refinement procedure

Resolution	40.700 - 2.000
R-factor	0.175
Rwork	0.172
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kf2
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	1.995	2.000
Rmerge	0.094	0.749
Number of reflections	148875	14803
<I/σ(I)>	13.6	2
Completeness [%]	99.9	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Ammonium citrate, PEG 3350, OTG