3ZXY

Structure of S218A mutant of the protease domain of PatA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	I 2 3
Unit cell lengths	130.610, 130.610, 130.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.360 - 1.580
R-factor	0.15643
Rwork	0.156
R-free	0.17432
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dbi
RMSD bond length	0.008
RMSD bond angle	1.387
Phasing software	PHASER
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.360	1.620
High resolution limit [Å]	1.580	1.580
Rmerge	0.080	0.650
Number of reflections	48227
<I/σ(I)>	14.2	3.6
Completeness [%]	99.9	100
Redundancy	7.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1