5YO5

Crystal Structure of B562RIL with engineered disulfide bond A20C-Q25C

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 1 2 1
Unit cell lengths	71.665, 120.870, 95.255
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	37.700 - 2.200
R-factor	0.2226
Rwork	0.221
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6t
RMSD bond length	0.008
RMSD bond angle	0.926
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	37.700
High resolution limit [Å]	2.200
Number of reflections	79301
<I/σ(I)>	12.35
Completeness [%]	99.0
Redundancy	3.7

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