7L75

Crystal Structure of Peptidylprolyl Isomerase PrsA from Streptococcus mutans.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	133.786, 66.207, 90.247
Unit cell angles	90.00, 113.11, 90.00

Refinement procedure

Resolution	29.460 - 3.150
R-factor	0.2679
Rwork	0.266
R-free	0.30970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tvl
RMSD bond length	0.002
RMSD bond angle	1.100
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.200
High resolution limit [Å]	3.150	3.150
Rmerge	0.056	0.801
Rmeas	0.063	0.892
Rpim	0.029	0.389
Number of reflections	12763	621
<I/σ(I)>	29	2.1
Completeness [%]	100.0	100
Redundancy	5	5.1
CC(1/2)		0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	Protein: 8.0 mg/ml, 0.01M Tris HCl (pH 8.3);Screen: PEG's II (A11), 0.2M Magnesium chloride, 0.1M HEPES (pH 7.5), 30% (w/v) PEG 4000.