3ZXX

Structure of self-cleaved protease domain of PatA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 41
Unit cell lengths	84.210, 84.210, 41.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.840 - 1.950
R-factor	0.139
Rwork	0.137
R-free	0.17400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dbi
RMSD bond length	0.008
RMSD bond angle	1.210
Phasing software	PHASER
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.840	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.040	0.060
Number of reflections	20196
<I/σ(I)>	31.8	19.7
Completeness [%]	98.7	91.5
Redundancy	7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1