3QFE

Crystal structures of a putative dihydrodipicolinate synthase family protein from Coccidioides immitis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	89.760, 89.760, 371.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.201
Rwork	0.199
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v8z
RMSD bond length	0.013
RMSD bond angle	1.320
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		2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.085	0.034	0.513
Number of reflections	38200	469	2749
<I/σ(I)>	27.2	66.48	5.67
Completeness [%]	99.6	80.4	100
Redundancy	19.7		17.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	CoimA.00447.a.A1 PW28367 at 24.64 mg/mL against CSHT screen condition B2, 0.2 M CaCl2, 0.1 M Na Hepes pH 7.5, 28% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 289K