2J65

Structure of LpxC from Aquifex aeolicus in complex with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-20
Detector	MARRESEARCH
Spacegroup name	P 61
Unit cell lengths	101.755, 101.755, 124.243
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.900 - 2.200
R-factor	0.171
Rwork	0.168
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p42
RMSD bond length	0.010
RMSD bond angle	1.340
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.900	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.480
Number of reflections	36577
<I/σ(I)>	11.3	3.6
Completeness [%]	99.0	98.5
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	CRYSTALS OF LPXC WERE GROWN BY HANGING VAPOR DIFFUSION AT 20 DEG C USING 1 UL OF PROTEIN (184 UM) AND 1 UL OF A RESERVOIR SOLUTION CONTAINING 8% PEG 6000, 100 MM TRIS, PH 8.5, AND 300 MM NACL.