8YOR

Complex of HARSWHEP and a-HARSWHEP Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97891
Spacegroup name	I 1 2 1
Unit cell lengths	86.750, 113.560, 149.499
Unit cell angles	90.00, 106.60, 90.00

Refinement procedure

Resolution	88.995 - 2.300
R-factor	0.2292
Rwork	0.227
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tl5 4cmh
RMSD bond length	0.002
RMSD bond angle	0.641
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.995	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	59732	5993
<I/σ(I)>	6.64
Completeness [%]	96.8
Redundancy	1.9
CC(1/2)	0.985	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	20% w/v PEG 3350, 0.2 M potassium sodium tartrate tetrahydrate pH7.4