9QWL

Hemolysin-coregulated-protein-1 (Hcp1) from Bacteroides fragilis strain NCTC9343

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 6
Unit cell lengths	77.366, 77.366, 47.635
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.440 - 1.950
R-factor	0.1953
Rwork	0.191
R-free	0.23430
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.873
Data reduction software	XDS (v20161205)
Data scaling software	Aimless (v0.7.1)
Phasing software	PHENIX ((1.19.2_4158))
Refinement software	PHENIX ((1.19.2_4158))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.440	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.055	1.127
Rmeas	0.057	1.000
Rpim	0.013	0.246
Number of reflections	248578	26002
<I/σ(I)>	35.1	3.28
Completeness [%]	99.6	99.58
Redundancy	20	15
CC(1/2)	1.000	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	Hcp1 at 14 mg/ml, 30% w/v PEG 400, 200 mM trisodium citrate (Na3C6H5O7) and 100 mM Tris pH 8.5,