4UHQ

Crystal structure of the pyocin AP41 DNase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-05
Detector	DECTRIS PILATUS
Spacegroup name	P 41 21 2
Unit cell lengths	100.575, 100.575, 71.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.979 - 1.500
R-factor	0.1747
Rwork	0.174
R-free	0.19130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bx1
RMSD bond length	0.013
RMSD bond angle	1.462
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.980	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.060
Number of reflections	59171
<I/σ(I)>	22	1.6
Completeness [%]	100.0	99.3
Redundancy	13	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M TRISODIUM CITRATE, 20% 2-PROPANOL, 20% PEG4000