7UJ6

Outer Surface Protein C Type K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	52.316, 52.343, 116.682
Unit cell angles	90.00, 92.49, 90.00

Refinement procedure

Resolution	39.782 - 1.951
R-factor	0.1945
Rwork	0.193
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ggq
RMSD bond length	0.003
RMSD bond angle	0.517
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.149	0.054	1.311
Rmeas	0.165	0.059	1.464
Rpim	0.071	0.024	0.639
Total number of observations	237937
Number of reflections	45203	2386	2233
<I/σ(I)>	6.1
Completeness [%]	97.8	99	99.2
Redundancy	5.3	6	5
CC(1/2)		0.998	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	100 mM Tris pH 8.5, 40% PEG 400, 200 mM Li2SO4, 10 mM 2-Aminoethanesulfonic acid.