3LH3

DFP modified DegS delta PDZ

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	2007-08-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	71.531, 132.745, 231.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.140 - 2.350
R-factor	0.187
Rwork	0.185
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.883
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]	50.000	50.000	2.430
High resolution limit [Å]	2.347	5.060	2.347
Rmerge	0.070	0.033	0.401
Number of reflections	90170
<I/σ(I)>	8.9
Completeness [%]	97.6	99.4	97.2
Redundancy	6.4	7.3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	50 MM NA CACODYLATE, 100 MM NA CITRATE, 20% ISOPROPANOL, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K