5YO6

Crystal Structure of B562RIL with engineered disulfide bond T9C-A36C

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	2016-09-16
Detector	MAR CCD 130 mm
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	41.764, 50.840, 89.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.271 - 1.204
R-factor	0.2153
Rwork	0.213
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6t
RMSD bond length	0.006
RMSD bond angle	0.850
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	32.271
High resolution limit [Å]	1.204
Number of reflections	22730
<I/σ(I)>	61.49
Completeness [%]	76.0
Redundancy	11.6

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