3HHE

Crystal structure of ribose-5-phosphate isomerase A from Bartonella henselae

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	2009-02-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	40.190, 79.584, 151.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.207
Rwork	0.205
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uj5
RMSD bond length	0.013
RMSD bond angle	1.412
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.148	0.488
Number of reflections	22355
<I/σ(I)>	10.909	2.38
Completeness [%]	99.7	99.3
Redundancy	5.5	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	JCSG+ sparse matrix screen condition D12, 40 mM KH2PO4, 16% PEG 8000, 20% Glycerol, 2.16 mg/mL Protein, crystal tracking ID 208597d12, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K