3MDO

Crystal structure of a Putative phosphoribosylformylglycinamidine cyclo-ligase (BDI_2101) from Parabacteroides distasonis ATCC 8503 at 1.91 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	99.945, 99.945, 163.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.623 - 1.910
R-factor	0.156
Rwork	0.154
R-free	0.19000
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.623	29.623	1.980
High resolution limit [Å]	1.910	4.100	1.910
Rmerge	0.074	0.027	0.710
Number of reflections	64592	12381	12418
<I/σ(I)>	13.15	40.5	2
Completeness [%]	99.7	99.6	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.33	277	34.0000% polyethylene glycol 300, 0.3000M calcium acetate, 0.1M sodium cacodylate pH 6.33, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K