5KCN

Crystal Structure of full-length LpoA from Haemophilus influenzae at 1.97 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	125
Detector technology	CCD
Collection date	2009-07-13
Detector	RAYONIX MX-300
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	65.866, 68.427, 128.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.783 - 1.965
R-factor	0.1792
Rwork	0.177
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4P29 and 3CKM
RMSD bond length	0.004
RMSD bond angle	0.624
Data reduction software	DENZO (1.99.2)
Data scaling software	SCALEPACK (1.99.1)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX ((dev_2376: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.965	5.350	1.970
Rmerge	0.058	0.076	0.171
Number of reflections	42000
<I/σ(I)>	21.6
Completeness [%]	99.8	98.7	99.6
Redundancy	6.5	6.1	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	295	1 microliter of concentrated protein (33 mg/ml in 150 mM NaCl, 50 mM Tris-HCl, pH 8.0) and 1 microliter precipitant [25% w/v PEG 1500, 0.1 M MMT buffer (20 mM DL-malic acid, 40 mM MES, 40 mM Tris-HCl), pH 4.0] and 0.2 microliter 30% xylitol