6KWO

Crystal structure of pSLA-1*1301 complex with mutant epitope ESDTVGWSW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97931
Spacegroup name	C 1 2 1
Unit cell lengths	218.570, 45.780, 45.450
Unit cell angles	90.00, 99.28, 90.00

Refinement procedure

Resolution	53.928 - 1.803
R-factor	0.2049
Rwork	0.204
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qq3
RMSD bond length	0.004
RMSD bond angle	0.765
Data reduction software	HKL-3000 ((1.14_3247: ???))
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.928	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.117	0.734
Number of reflections	38597	38597
<I/σ(I)>	9.9	2.2
Completeness [%]	93.8
Redundancy	7.1	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.15 M Potassium Bromide, 30% w/v Polyethylene Glycol Monomethyl ether 2000