7POE

Phosphoglycolate Phosphatase with Inhibitor CP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 41
Unit cell lengths	105.902, 105.902, 83.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.360 - 3.160
R-factor	0.2132
Rwork	0.212
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7po7
RMSD bond length	0.003
RMSD bond angle	0.733
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.360	3.380
High resolution limit [Å]	3.160	3.160
Rmerge	0.216	2.334
Rpim	0.082	0.869
Number of reflections	12387	651
<I/σ(I)>	7.94	1.1
Completeness [%]	82.2
Redundancy	7.8
CC(1/2)	0.994	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	0.49 M NaH2PO4 0.91 K2HPO4