3ZGI

Crystal structure of the KRT10-binding region domain of the pneumococcal serine rich repeat protein PsrP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-15
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	105.580, 105.580, 120.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.350 - 2.250
R-factor	0.1874
Rwork	0.186
R-free	0.21450
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.470
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Auto-Rickshaw
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.350	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.060	0.490
Number of reflections	61680
<I/σ(I)>	14.8	3.18
Completeness [%]	100.0	100
Redundancy	4.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			0.2 M LITHIUM SULFATE, 0.1 M SODIUM ACETATE TRIHYDRATE PH 4.6, 25% PEG4000 (W/V) USING THE SITTING DROP VAPOR-DIFFUSION METHOD FOLLOWED BY MICRO-SEEDING