5YO4

Crystal Structure of B562RIL with engineered disulfide bond K27C-A79C

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	2016-08-18
Detector	MAR CCD 130 mm
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	41.766, 51.287, 89.894
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.386 - 1.370
R-factor	0.184
Rwork	0.181
R-free	0.21250
RMSD bond length	0.008
RMSD bond angle	0.860
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	32.390
High resolution limit [Å]	1.370
Number of reflections	20635
<I/σ(I)>	45.75
Completeness [%]	99.0
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	3.2M NH4(SO4), 0.1M Bicine 2.44mM N-octanoylsucrose