4LA4

Crystal structure of native PnpB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9790
Spacegroup name	P 2 21 21
Unit cell lengths	58.145, 73.110, 84.965
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.116 - 2.070
R-factor	0.1786
Rwork	0.176
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.008
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.070	4.460	2.070
Rmerge		0.053	0.314
Number of reflections	22471
<I/σ(I)>		34.39	5.14
Completeness [%]	99.0	99.9	94
Redundancy	6.9	6.9	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	VAPOR DIFFUSION, HANGING DROP, temperature 293K