6OFS

The crystal structure of the periplasmic protease PqqL from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-08
Detector	MAR CCD 130 mm
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	98.674, 98.674, 230.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.130 - 2.600
R-factor	0.201
Rwork	0.199
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TBA
RMSD bond length	0.009
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.250	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.354	6.338
Rpim	0.044	0.645
Number of reflections	36058	4290
<I/σ(I)>	25.1	1.6
Completeness [%]	100.0	100
Redundancy	125.2	96.9
CC(1/2)	0.999	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	293	0.1 M Bis-tris propane, 0.2 M NaK tartrate, 20 % PEG 3350