3GON

Streptococcus pneumoniae Phosphomevalonate Kinase in Complex with Phosphomevalonate and AMPPNP

Replaces:  2PG9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	125
Detector technology	IMAGE PLATE
Collection date	2004-04-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	68.977, 115.285, 39.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.380 - 1.900
R-factor	0.185
Rwork	0.185
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k49
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.400	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.045	0.145
Number of reflections	23685
<I/σ(I)>		5.6
Completeness [%]	91.3	81.4
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	PEG 4000, MES, ethylene glycol, AMPPNP, phosphomevalonate, Mg, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K