5N12

Crystal structure of TCE treated rPPEP-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-12-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	43.169, 71.769, 117.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.530 - 1.380
R-factor	0.1643
Rwork	0.164
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a0p
RMSD bond length	0.008
RMSD bond angle	0.976
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	45.530
High resolution limit [Å]	1.380
Number of reflections	76075
<I/σ(I)>	14.7
Completeness [%]	100.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Protein to precipitant solution: 1.5 microl:1.5 microl Protein: 12 mg ml 20 mM Tris pH 7.5 200 mM NaCl Precipitant solution: 0.1 M Tris pH 8.5 2.0 M ammonium phosphate dibasic