3OA3

Crystal structure of a putative deoxyribose-phosphate aldolase from Coccidioides immitis

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	2010-07-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	47.690, 80.810, 71.670
Unit cell angles	90.00, 102.99, 90.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.1646
Rwork	0.163
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3NGJ molecule A
RMSD bond length	0.016
RMSD bond angle	1.237
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		1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.051	0.022	0.385
Number of reflections	68464	816	4980
<I/σ(I)>	19.41	46.8	4
Completeness [%]	98.0	99.5	96.5
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	4.93 mg/mL CoimA.00559.a.A1 PS00460 against Hampton Index Screen condition G9, 0.2 M ammonium sulphate, 0.1 M Tris pH 8.5, 25% PEG 3350 enheanced with 20% glycerol as cryo-protectant, crystal tracking ID 216774g9, VAPOR DIFFUSION, SITTING DROP, temperature 289K