3LL9

X-ray structures of isopentenyl phosphate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-02-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	119.672, 96.360, 72.430
Unit cell angles	90.00, 120.59, 90.00

Refinement procedure

Resolution	29.332 - 2.148
R-factor	0.208
Rwork	0.205
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lkk
RMSD bond length	0.023
RMSD bond angle	2.005
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (1.3.3)
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.082	0.064	0.459
Number of reflections	38177
<I/σ(I)>	19.7
Completeness [%]	92.3	97.4	66.2
Redundancy	3.5	3.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	12% PEG 6000, 2 M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 294K