6ORI

Enterococcal surface protein, partial N-terminal region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9801
Spacegroup name	P 1
Unit cell lengths	39.850, 49.960, 51.240
Unit cell angles	107.36, 111.42, 90.43

Refinement procedure

Resolution	47.270 - 1.400
R-factor	0.1531
Rwork	0.152
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Crystals with selenomethionine previously determined by our lab but unpublished
RMSD bond length	0.009
RMSD bond angle	1.240
Data reduction software	MOSFLM (1.9_1692)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.270	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.066
Number of reflections	58580	410
<I/σ(I)>	15.1
Completeness [%]	85.4	78.8
Redundancy	3.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	Crystallization condition: protein: 7.5 mg/mL in 10 mM Tris and 10 mM NaCl Mother liquid: 0.2 M ammonium acetate, pH 7.0, 16% PEG3350, 1 uL mother liquid + 1 uL protein The crystal was soaked in 8.625%(w/v) sodium acrylate, 2.5%(w/v) acrylamide and 0.2%(w/v) bis-acrylamide in mother liquid (0.2 M ammonium acetate, pH 7.0, 16% PEG 3350). after soaking for over 48 hours, the crystal was transferred to 1% APS and 1% TEMED in mother liquid (0.2 M ammonium acetate, pH 7.0, 16% PEG 3350). after 10 min, calcium chloride was added to the crystal with a final concentration of 100 mM.