3KIA

Crystal structure of mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 65 2 2
Unit cell lengths	109.010, 109.010, 313.418
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.699 - 2.800
R-factor	0.1924
Rwork	0.190
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f1y
RMSD bond length	0.009
RMSD bond angle	0.914
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.500	2.950
High resolution limit [Å]	2.800	2.800
Number of reflections	27781
<I/σ(I)>	10.7	2.4
Completeness [%]	99.7
Redundancy	13.9	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	0.1M MES pH 6.0, 2.0M NaCl, 0.1M NaH2PO4, 0.1M KH2PO4, VAPOR DIFFUSION, temperature 298K