3LGY

R178A mutant of the DegS-deltaPDZ protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-04-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5416
Spacegroup name	H 3
Unit cell lengths	70.216, 70.216, 119.228
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.462 - 2.700
R-factor	0.237
Rwork	0.236
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.803
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	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.058	0.039	0.201
Number of reflections	5938
<I/σ(I)>	15.6
Completeness [%]	98.2	99.5	87.5
Redundancy	10.2	11.3	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	50 mM Sodium Cacodylate, 50-125 mM Sodium Citrate, 10-20 % isopropanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K