5XHH

crystal structure of Hcp1 from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	80.603, 82.771, 142.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.386 - 2.100
R-factor	0.1945
Rwork	0.192
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y12
RMSD bond length	0.008
RMSD bond angle	0.961
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.112	0.655
Rpim	0.033	0.196
Number of reflections	28203	1432
<I/σ(I)>	27.1	3.2
Completeness [%]	100.0	100
Redundancy	12.9	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	2.2 M Ammonium sulfate, 0.1M ammonium acetate, pH 5.6