3SDW

Crystal structure of a ribose-5-phosphate isomerase B RpiB from Coccidioides immitis bound to phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-24
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	F 2 2 2
Unit cell lengths	77.700, 85.220, 96.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.240 - 1.800
R-factor	0.15
Rwork	0.149
R-free	0.17620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qd5
RMSD bond length	0.015
RMSD bond angle	1.288
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.119	0.067	0.438
Number of reflections		321	2107
<I/σ(I)>	12.3	47.56	2.08
Completeness [%]	99.8	98.5	98.8
Redundancy	3.6		2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	CoimA.00584.a.A1 PS00647 at 66 mg/mL with 20 mM ribose-5-phosphate and 12 mM MnCl2 against PACT screen condition A2 0.1 M SPG buffer pH 5.0, 25% PEG 1500 with 20% ethylene glycol as cryo-protection reagent, crystal tracking ID 222975a2, VAPOR DIFFUSION, SITTING DROP, temperature 289K