2W5T

Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	90
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	47.245, 57.206, 159.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.660 - 1.600
R-factor	0.174
Rwork	0.172
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w5q
RMSD bond length	0.010
RMSD bond angle	1.219
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.660
High resolution limit [Å]	1.600
Rmerge	0.060
Number of reflections	52534
<I/σ(I)>	8.2
Completeness [%]	95.6
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6		30% PEG4000, 100MM SODIUM CITRATE, PH5.6, 200MM AMMONIUM ACETATE, 30MG/ML GLYCEROL-PHOSPHATE