3GDV

Crystal structure of DegS H198P/D320A mutant modified by DFP and in complex with YQF peptide

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	2008-10-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	118.880, 172.278, 114.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.039 - 2.489
R-factor	0.1928
Rwork	0.191
R-free	0.22390
RMSD bond length	0.005
RMSD bond angle	0.830
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.489	5.380	2.489
Rmerge	0.080	0.049	0.243
Number of reflections	39897
<I/σ(I)>	19.967
Completeness [%]	96.4	97.4	79.1
Redundancy	4.3	4.3	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	50 mM Tris 100mM MgCl2 3% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 298K