6E3F

The structure of the C-terminal domains (C123) of Streptococcus intermedius antigen I/II (Pas)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9719
Spacegroup name	I 41 2 2
Unit cell lengths	99.589, 99.589, 514.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.610 - 2.700
R-factor	0.2163
Rwork	0.215
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qe5
RMSD bond length	0.013
RMSD bond angle	1.631
Data reduction software	HKL-2000 (2.3.7)
Data scaling software	HKL-2000 (2.3.7)
Phasing software	MOLREP (10.2.36)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.124
Rmeas	0.129
Rpim	0.041	0.443
Total number of observations	531423
Number of reflections	36912	1786
<I/σ(I)>	6.3	2.05
Completeness [%]	100.0	100
Redundancy	14.4	14.8
CC(1/2)		0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	295	100 mM Citrate, pH 5.8, 200 mM Ammonium sulfate, 900 mM Lithium sulfate