1RKI

Structure of pag5_736 from P. aerophilum with three disulphide bonds

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-06-06
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	105.483, 43.717, 52.717
Unit cell angles	90.00, 113.24, 90.00

Refinement procedure

Resolution	28.630 - 1.600
R-factor	0.18665
Rwork	0.184
R-free	0.23507
Structure solution method	MIR
RMSD bond length	0.024
RMSD bond angle	2.270
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.125	0.495
Number of reflections	28068
Completeness [%]	96.0	75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	PEG 8000, lithium sulphate, acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	PEG 8000, lithium sulphate, acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	PEG 8000, lithium sulphate, acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K