3KIZ

Crystal structure of Putative phosphoribosylformylglycinamidine cyclo-ligase (YP_676759.1) from CYTOPHAGA HUTCHINSONII ATCC 33406 at 1.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-27
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97908
Spacegroup name	P 21 21 21
Unit cell lengths	70.930, 95.182, 106.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.501 - 1.500
R-factor	0.16
Rwork	0.159
R-free	0.18700
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.509
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.501	29.500	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.077	0.047	0.376
Total number of observations		4730	18029
Number of reflections	113854
<I/σ(I)>	9.7	10.1	2
Completeness [%]	98.5	98.1	86.3
Redundancy	3.5	3.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	0.2000M KAcetate, 20.0000% PEG-3350, No Buffer pH 7.8, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K