3RMI

Crystal structure of Chorismate mutase from Bartonella henselae str. Houston-1 in complex with malate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9765
Spacegroup name	P 62 2 2
Unit cell lengths	71.320, 71.320, 145.840
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.800 - 2.400
R-factor	0.219
Rwork	0.217
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d8e
RMSD bond length	0.016
RMSD bond angle	1.480
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.047	0.020	0.439
Number of reflections	9071	101	659
<I/σ(I)>	27	55.9	5.6
Completeness [%]	98.9	71.1	99.4
Redundancy	7.8		8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	Internal tracking number 218208F3. INDEX screen condition F3: 5% v/v Tacsimate pH 7.0, 0.1 M HEPES pH 7.0, 10% PEG-MME 5000. BaheA.00146.a.A1 PS00787 at 51.1 mg/ml., vapor diffusion, sitting drop, temperature 290K