3ZGH

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 2 2
Unit cell lengths	74.510, 74.510, 121.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.318 - 2.000
R-factor	0.1781
Rwork	0.177
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MODEL OBTAINED FROM SAD EXPERIMENT
RMSD bond length	0.012
RMSD bond angle	1.417
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.700
Number of reflections	44053
<I/σ(I)>	18.2	3
Completeness [%]	100.0	100
Redundancy	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			WELL-DIFFRACTING CRYSTALS OF WILD-TYPE AND SE-MET-BR187-385 WERE OBTAINED IN 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.