4EHW

Crystal structure of LpxK from Aquifex aeolicus at 2.3 angstrom resolution

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	2010-10-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	101.191, 101.191, 131.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.873 - 2.300
R-factor	0.2316
Rwork	0.228
R-free	0.26320
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.095
Data reduction software	d*TREK (9.9.3L)
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.570	48.570	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.077	0.039	0.509
Total number of observations		45675	43115
Number of reflections	31074
<I/σ(I)>	13.8	41.2	2.8
Completeness [%]	99.8	99.9	100
Redundancy	12.27	13.25	10.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop, vapor diffusion	7.5	293	The reservoir solution contained 60% MPD and 0.1 M Hepes pH 7.5. The drop contained ~3-4 mg/ml protein, 36% MPD, 60 mM Hepes pH 7.5, 10 mM Hepes pH 8.0, 0.3 M NaCl, 8% glycerol, 0.8 mM DTT, and ~0.1% DDM, sitting drop, vapor diffusion, temperature 293K