8X3E

CYP725A4-Taxa-4,11-diene complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	93
Detector technology	CCD
Collection date	2021-06-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	I 4 3 2
Unit cell lengths	196.824, 196.824, 196.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.410 - 2.500
Rwork	0.297
R-free	0.31090
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.410	2.589
High resolution limit [Å]	2.500	2.500
Number of reflections	22650	2228
<I/σ(I)>	35.6
Completeness [%]	99.3
Redundancy	76.1
CC(1/2)	0.998	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	1.6M sodium citrate, pH6.5