3KS7

Crystal structure of Putative Peptide:N-glycosidase F (PNGase F) (YP_210507.1) from Bacteroides fragilis NCTC 9343 at 2.30 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	2009-07-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97922,0.97876
Spacegroup name	P 21 21 21
Unit cell lengths	106.057, 119.221, 154.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.881 - 2.300
R-factor	0.203
Rwork	0.201
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.052
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.881	29.880	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.099	0.041	0.789
Total number of observations		3481	24125
Number of reflections	87284
<I/σ(I)>	9.9	11.5	1
Completeness [%]	99.8	93.9	99.9
Redundancy	3.7	3.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	25.0000% polyethylene glycol 3350, 0.2070M ammonium iodide, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K