3PSA

Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to tungstate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 31 2 1
Unit cell lengths	122.711, 122.711, 103.215
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.480 - 1.700
R-factor	0.2198
Rwork	0.219
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.555
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.074	0.045	0.348
Number of reflections	99140
<I/σ(I)>	14.8
Completeness [%]	100.0	99.9	100
Redundancy	8	8.7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	24% PEG2000 MME, 0.1 M sodium acetate, 0.2 M ammonium sulfate, 12% glycerol, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	24% PEG2000 MME, 0.1 M sodium acetate, 0.2 M ammonium sulfate, 12% glycerol, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K