7KYO

PsaBC from Streptococcus pneumoniae in complex with Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	126.660, 241.700, 98.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.850
R-factor	0.23936
Rwork	0.238
R-free	0.27056
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nq2
RMSD bond length	0.007
RMSD bond angle	1.014
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.990
High resolution limit [Å]	2.850	2.850
Number of reflections	34896	4212
<I/σ(I)>	14.6
Completeness [%]	98.2
Redundancy	4.2
CC(1/2)	0.999	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	50 mM Tris-HCl, pH 8.5, 28% v/v PEG400