6K2D

The crystal structure of GBP1 with LRR domain of IpaH9.8

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	2018-06-05
Detector	RAYONIX MX-225
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	211.736, 211.736, 56.975
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.392 - 3.600
R-factor	0.2429
Rwork	0.240
R-free	0.28720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.542
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.660
High resolution limit [Å]	3.600	9.750	3.600
Rmerge	0.196	0.139	2.895
Rmeas	0.208	0.148	3.062
Rpim	0.068	0.050	0.992
Total number of observations	169472
Number of reflections	17259	920	844
<I/σ(I)>	7.7
Completeness [%]	100.0	100	100
Redundancy	9.8	9.5	9.4
CC(1/2)		0.970	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.6M Sodium/potassium phosphate pH 6.5