5YM3

CYP76AH1-4pi from salvia miltiorrhiza

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	93
Detector technology	CCD
Collection date	2015-11-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97979
Spacegroup name	P 31 2 1
Unit cell lengths	109.103, 109.103, 105.709
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.132 - 2.601
R-factor	0.1873
Rwork	0.185
R-free	0.23060
RMSD bond length	0.006
RMSD bond angle	0.929
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.600
Number of reflections	22668
<I/σ(I)>	16
Completeness [%]	99.4
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	HEPES, Jeffamine M-600 Reagent, manganese chloride