6TOR

human O-phosphoethanolamine phospho-lyase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-15
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	137.998, 137.998, 121.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.090 - 2.050
R-factor	0.165
Rwork	0.163
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g4i
RMSD bond length	0.010
RMSD bond angle	1.605
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.090	2.160
High resolution limit [Å]	2.050	2.050
Rmerge		0.102
Rpim	0.068
Number of reflections	54318	54318
<I/σ(I)>	10.1
Completeness [%]	100.0
Redundancy	4.9
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20% PEG 3350, 100 mM Bis Tris propane pH 7.0, 200 mM ammonium sulfate, and 3% MPD.