4KA8

Structure of Organellar OligoPeptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	71.817, 101.339, 132.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.390 - 1.900
R-factor	0.1927
Rwork	0.191
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.366
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.586	47.346	2.000
High resolution limit [Å]	1.806	6.010	1.900
Rmerge		0.022	0.435
Rmeas		0.027	0.528
Rpim		0.014	0.293
Total number of observations		8151	34244
Number of reflections	76412
<I/σ(I)>	12.5	30.6	2.2
Completeness [%]	99.2	97.6	98.6
Redundancy	3.3	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	20% PEG 5000 MME, 0.1M Bis-Tris-Propane, 0.2M Na-malonate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K