3LGI

Structure of the protease domain of DegS (DegS-deltaPDZ) at 1.65 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	70.384, 72.762, 128.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.681 - 1.652
R-factor	0.1534
Rwork	0.152
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.039
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.069	0.041	0.481
Number of reflections	79543
<I/σ(I)>	12.8
Completeness [%]	99.6	99.4	94.8
Redundancy	12.9	13.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	300	40-100 mM Sodium Cacodylate, 10-20 % isopropanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K