5HNV

Crystal structure of PpkA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 2
Unit cell lengths	65.753, 78.282, 59.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.879 - 1.410
R-factor	0.184
Rwork	0.183
R-free	0.21000
RMSD bond length	0.006
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.490
High resolution limit [Å]	1.410	1.410
Rmerge	0.042	0.737
Number of reflections	59128
<I/σ(I)>	28.7	3.4
Completeness [%]	99.2	95.2
Redundancy	12.8	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	PEG3350, HEPES, sodium chloride