4G9P

Structure of the GcpE-MEcPP (IspG) complex from Thermus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-21
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	63.650, 63.650, 442.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.782 - 1.550
R-factor	0.1779
Rwork	0.177
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.791
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.590
High resolution limit [Å]	1.550	1.550
Number of reflections	79313
<I/σ(I)>		2.1
Completeness [%]	97.8	85.4
Redundancy		2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	45 % pentaerythriol propoxylate 426, 0.1 M MES, 0.4 M KCl, 2.5 mM MEcPP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K