6VJ6

2.55 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus cereus

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	2019-11-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	151.425, 70.358, 79.357
Unit cell angles	90.00, 91.75, 90.00

Refinement procedure

Resolution	29.730 - 2.553
Rwork	0.217
R-free	0.24740
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.452
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.084	0.787
Rmeas	0.095	0.883
Rpim	0.044	0.394
Number of reflections	27237	1368
<I/σ(I)>	18.1	2.3
Completeness [%]	99.9	100
Redundancy	5	5.1
CC(1/2)		0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	Protein: 8.3 mg/ml, 0.01M Tris pH 8.3; Reservior (Screen JCSG+, G1): 0.1M HEPES pH 7.0, 30% v/v Jeffamine ED-2001 pH 7.0