5VAT

Haemophilus influenzae LpoA: Monoclinic form (Mon2) with 2 molecules per a.u.

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]	125
Detector technology	CCD
Collection date	2009-10-08
Detector	RAYONIX MX-300
Wavelength(s)	1.07806
Spacegroup name	P 1 21 1
Unit cell lengths	84.935, 72.695, 120.572
Unit cell angles	90.00, 94.42, 90.00

Refinement procedure

Resolution	42.341 - 2.600
R-factor	0.2247
Rwork	0.223
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ckm 4p29
RMSD bond length	0.002
RMSD bond angle	0.542
Data reduction software	HKL-2000 (0.98)
Data scaling software	HKL-2000 (0.98)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	46.400	2.530
High resolution limit [Å]	2.490	6.510	2.490
Rmerge	0.087	0.059	0.513
Rmeas	0.107	0.071	0.647
Rpim	0.061	0.040	0.389
Number of reflections	45736	2580	1887
<I/σ(I)>	11.9
Completeness [%]	87.1	85.1	65.1
Redundancy	2.66	2.8	2.2
CC(1/2)	0.900	0.988	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	One microliter of concentrated protein (33 mg/ml in 150 mm NaCl, 50 mm Tris-HCl, ph 8.0) and one microliter precipitant (8% polyethylene glycol 4000, 0.1 m sodium acetate trihydrate, ph 4.6) and 0.2 microliter 30% xylitol. Cryoprotectant: precipitant solution containing 15% glycerol.