4NBQ

Structure of the polynucleotide phosphorylase (CBU_0852) from Coxiella burnetii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	99.710, 111.358, 219.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.634 - 2.914
R-factor	0.2109
Rwork	0.208
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cdi
RMSD bond length	0.004
RMSD bond angle	0.998
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.097	0.071	0.518
Number of reflections	51088
<I/σ(I)>	8.6
Completeness [%]	95.0	98.6	88.9
Redundancy	5	5.2	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION			VAPOR DIFFUSION