3GCN

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-10-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 3
Unit cell lengths	119.030, 119.030, 119.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.869 - 3.002
R-factor	0.215
Rwork	0.213
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.670
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.134	0.053
Number of reflections	11504
<I/σ(I)>	34.362
Completeness [%]	99.9	98.9	100
Redundancy	40.6	40.9	37.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	3% PEG 3350, 100 mM Bis-Tris propane, 50 mM NaF, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K