3KXY

Crystal Structure of the ExsC-ExsE Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0809
Spacegroup name	P 21 21 21
Unit cell lengths	96.313, 124.973, 228.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.804
R-factor	0.2187
Rwork	0.217
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.477
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX ((phaser))
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.107	0.595
Number of reflections	66241
<I/σ(I)>	7.8	1.6
Completeness [%]	97.0	83.6
Redundancy	10.4	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	288	1.0M sodium potassium tartrate, 0.2M lithium sulfate, 0.1M CHES, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K