5KH2

Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-17
Detector	MARRESEARCH
Wavelength(s)	0.987,1.000
Spacegroup name	P 21 21 21
Unit cell lengths	59.687, 118.029, 178.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.21418
Rwork	0.213
R-free	0.24491
RMSD bond length	0.007
RMSD bond angle	1.099
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.300
Number of reflections	53529
<I/σ(I)>	15
Completeness [%]	94.3
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2 ul protein (9.5mg/ml in 50mM Tris-HCl, pH 7.5, 0.2M NaCl, 1mM EDTA) mixed with 2ul reservoir solution containing either 10-20% ethanol, 0.1M Tris-Hcl, pH 8.5 or 4-5% PEG 6000, 0.1M HEPES, pH 7.5