3LUO

Crystal Structure and functional characterization of the thermophilic prolyl isomerase and chaperone SlyD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9841
Spacegroup name	I 21 3
Unit cell lengths	111.400, 111.400, 111.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.693 - 2.550
R-factor	0.207
Rwork	0.205
R-free	0.23500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3cgm
RMSD bond length	0.023
RMSD bond angle	0.928
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.650
High resolution limit [Å]	2.550	2.550
Rmerge	0.050	0.643
Number of reflections	7636	808
<I/σ(I)>	23.77	3.5
Completeness [%]	99.7	100
Redundancy	7.35	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	10MG/ML N-SUC-ALA-LEU-PRO-PHE-PNA, 2M AMMONIUM SULFATE, 5 % PEG 400, 100MM MES, PH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K