4KWB

Structure of signal peptide peptidase A with C-termini bound in the active sites: insights into specificity, self-processing and regulation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	87.797, 130.979, 207.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.390
R-factor	0.208
Rwork	0.206
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bfo
RMSD bond length	0.008
RMSD bond angle	1.061
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (FOR MR 2.1)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.390	2.390
Rmerge	0.060	0.302
Number of reflections	93168
<I/σ(I)>	50.3	6.7
Completeness [%]	99.2	97.5
Redundancy	6.8	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298.15	100mM TRIS, 23% TERT-BUTANOL UNDER PARAFFIN OIL, VAPOR DIFFUSION, SITTING DROP, temperature 298.15K, pH 8.5