6R53

Crystal structure of PPEP-1(K101R)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-12-18
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	43.150, 71.830, 117.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.560 - 1.798
R-factor	0.185
Rwork	0.183
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a0p
RMSD bond length	0.003
RMSD bond angle	0.544
Data reduction software	XDS (Jun 17, 2015)
Data scaling software	XDS (Jun 17, 2015)
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3395: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.560	1.863
High resolution limit [Å]	1.798	1.798
Number of reflections	34718
<I/σ(I)>	10.99
Completeness [%]	100.0
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200 nl 12 mg per ml rPPEP-1 K101R in 20 mM Tris pH 7.5, 200 mM NaCl was mixed with 100 nl precipitant solution containing: 100 mM Tris pH 8.5, 1.8 M ammonium phosphate dibasic. Reservior volume: 60 microl