4X2R

Crystal structure of PriA from Actinomyces urogenitalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	P 41
Unit cell lengths	76.020, 76.020, 43.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.531 - 1.050
R-factor	0.1228
Rwork	0.123
R-free	0.14100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vzw
RMSD bond length	0.014
RMSD bond angle	1.603
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.070
High resolution limit [Å]	1.050	1.050
Rmerge	0.063	0.584
Number of reflections	114288
<I/σ(I)>	17.35	1.88
Completeness [%]	99.5	94.9
Redundancy	5.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M Li2SO4, 0.1 M CAPS:NaOH pH 10.5, 1.2 M/NaH2PO4, 0.8 M K2HPO4, cryo 2.4 M K2HPO4