5VBG

Crystal Structure of full-length LpoA, Monoclinic form 1, from Haemophilus influenzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	145
Detector technology	CCD
Collection date	2010-02-07
Detector	RAYONIX MX-300
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	67.458, 69.344, 73.577
Unit cell angles	90.00, 110.18, 90.00

Refinement procedure

Resolution	35.977 - 2.800
R-factor	0.207
Rwork	0.205
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kcn
RMSD bond length	0.002
RMSD bond angle	0.447
Data reduction software	HKL-2000 (2.39)
Data scaling software	HKL-2000 (2.39)
Phasing software	PHASER
Refinement software	PHENIX (dev-2376)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.870
High resolution limit [Å]	2.800	6.900	2.800
Rmerge	0.109	0.072	0.401
Rmeas	0.131	0.087	0.526
Rpim	0.072	0.047	0.336
Number of reflections	14455
<I/σ(I)>	7.6
Completeness [%]	90.1	99.2	40.7
Redundancy	3.1	3.2	1.8
CC(1/2)		0.992	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Drops were comprised of 1 microliter of concentrated protein (33 mg/ml in 150 mM NaCl, 50 mM Tris-HCl, pH 8.0), 1 microliter precipitant (8% w/v polyethylene glycol 4000, sodium acetate trihydrate, pH 4.6), and 0.2 microliter 30% xylitol. The cryoprotectant was 15% glycerol in the precipitant solution. Crystals frozen in liquid nitrogen.