4Q7C

Structure of AF2299, a CDP-alcohol phosphotransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0245
Spacegroup name	P 1 21 1
Unit cell lengths	46.417, 90.852, 106.611
Unit cell angles	90.00, 92.21, 90.00

Refinement procedure

Resolution	69.128 - 3.102
R-factor	0.2392
Rwork	0.238
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 4O6M
RMSD bond length	0.008
RMSD bond angle	0.652
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000		3.290
High resolution limit [Å]	3.100	9.230	3.100
Rmerge	0.154	0.029	0.683
Number of reflections	31012
<I/σ(I)>	5.98	24.92	1.33
Completeness [%]	98.5	97	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Lipidic cubic phase (LCP)	7	298	15% PEG 550 MME, 0.1 M Na-HEPES pH 7.0, 0.2 M potassium sodium tartrate, 2.5 mM CDP-glycerol, 1 mM TCEP, Lipidic cubic phase (LCP), temperature 298K