3ZLB

Crystal structure of phosphoglycerate kinase from Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Spacegroup name	P 1 21 1
Unit cell lengths	40.347, 78.227, 59.033
Unit cell angles	90.00, 96.34, 90.00

Refinement procedure

Resolution	46.937 - 1.780
R-factor	0.1475
Rwork	0.145
R-free	0.19210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vpe
RMSD bond length	0.011
RMSD bond angle	1.279
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.930	1.880
High resolution limit [Å]	1.780	1.780
Rmerge	0.080	0.590
Number of reflections	34968
<I/σ(I)>	11.4	2.2
Completeness [%]	100.0	100
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				30% PEG 4000, 0.2 M MGCL2, 0.1 M TRIS-HCL PH 8.6