7VCR

Crystal Structure of PitA fragment from pilus islet-2 of Streptococcus oralis

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	2018-07-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97951
Spacegroup name	P 1
Unit cell lengths	61.480, 70.875, 82.466
Unit cell angles	80.09, 87.02, 87.70

Refinement procedure

Resolution	69.879 - 2.000
Rwork	0.201
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vcn
RMSD bond length	0.012
RMSD bond angle	1.925
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.150	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.052	0.818
Rpim	0.047	0.647
Number of reflections	83573	4541
<I/σ(I)>	11.3	1.3
Completeness [%]	90.3	92.1
Redundancy	3.2
CC(1/2)	0.999	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	295	0.2 M ammonium acetate 0.1 M HEPES pH 7.2, 20% PEG 3350