5Z4T

Complex structure - AxMan113A-M3

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	2017-06-12
Detector	RAYONIX MX225-HS
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	65.095, 69.918, 186.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.920 - 1.680
R-factor	0.1854
Rwork	0.185
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ylh
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (dev-2474)
Refinement software	PHENIX (dev-2474)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.920	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.198
Number of reflections	91072	91702
<I/σ(I)>	6.8
Completeness [%]	93.0	93
Redundancy	9.3
CC(1/2)		0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	HEPES sodium pH 7.5, 2-Propanol, PEG 4000