3BGE

Crystal structure of the C-terminal fragment of AAA+ATPase from Haemophilus influenzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-20
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	I 4
Unit cell lengths	93.085, 93.085, 83.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.120 - 1.850
R-factor	0.189
Rwork	0.187
R-free	0.24000
Structure solution method	SAD
Starting model (for MR)	2r9g
RMSD bond length	0.013
RMSD bond angle	1.349
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.120	1.930
High resolution limit [Å]	1.850	1.850
Rmerge	0.079	0.440
Number of reflections	30371
<I/σ(I)>	4.8	2.2
Completeness [%]	99.4	100
Redundancy	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M tri-Sodium citrate pH 5.6, 2M Ammonium sulfate, 0.2M Potassium sodium tartrate tetrahydrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M tri-Sodium citrate pH 5.6, 2M Ammonium sulfate, 0.2M Potassium sodium tartrate tetrahydrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M tri-Sodium citrate pH 5.6, 2M Ammonium sulfate, 0.2M Potassium sodium tartrate tetrahydrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K