5OON

Structure of Undecaprenyl-Pyrophosphate Phosphatase, BacA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.9
Spacegroup name	C 2 2 2
Unit cell lengths	113.260, 145.000, 40.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.455 - 2.600
R-factor	0.2077
Rwork	0.206
R-free	0.24390
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	PHENIX ((1.12rc2_2821: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.840	2.670
High resolution limit [Å]	2.600	2.600
Rmeas	0.400	2.030
Number of reflections	19853
<I/σ(I)>	8.75	1.87
Completeness [%]	100.0	99.9
Redundancy	17.91	12.33
CC(1/2)	0.990	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5	293	40 % PEG-400, 0.3-0.5 M ammonium citrate dibasic and 0.1 M sodium citrate pH 5.0