6DCJ

LpoA N-terminal domain from Haemophilus influenzae; monoclinic form at 1.35 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	140
Detector technology	CCD
Collection date	2003-11-12
Detector	RAYONIX MX225-HS
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	68.988, 36.927, 95.359
Unit cell angles	90.00, 108.08, 90.00

Refinement procedure

Resolution	34.440 - 1.350
R-factor	0.1582
Rwork	0.155
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p29
RMSD bond length	0.006
RMSD bond angle	0.867
Data reduction software	d*TREK (8.0I)
Data scaling software	d*TREK (8.0I)
Phasing software	PHASER (2.7.2)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.500	34.500	1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.047	0.034	0.262
Rmeas	0.047
Total number of observations	303668
Number of reflections	91763	8441	6012
<I/σ(I)>	13.1	29.8	2.9
Completeness [%]	90.3	80.6	59.9
Redundancy	3.28	3.16	2.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Protein was 10 mg/ml in 0.1% beta-mercaptoethanol, 1 mM EDTA, 0.1 mM benzamidine, 20 mM Tris-HCl pH 8.0. Precipitant contained 20% polyethylene glycol 10,000, 0.1 M HEPES pH 7.5. 2 ul protein mixed with 2 ul precipitant on silated cover slip and equilibrated over a reservoir containing 1 ml precipitant.