5YO3

Crystal Structure of B562RIL with engineered disulfide bond V16C-A29C

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	2016-07-15
Detector	MAR CCD 130 mm
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	40.328, 50.126, 94.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.118 - 1.700
R-factor	0.1583
Rwork	0.155
R-free	0.18830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6t
RMSD bond length	0.003
RMSD bond angle	0.552
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.118	1.780
High resolution limit [Å]	1.700	1.700
Number of reflections	10312
<I/σ(I)>	55.71
Completeness [%]	95.0
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	292	NH4(SO4), Bicine, N-octanoylsucrose