3K7C

Crystal structure of Putative NTF2-like transpeptidase (NP_281412.1) from CAMPYLOBACTER JEJUNI at 2.00 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	2009-06-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97908,0.97855
Spacegroup name	C 1 2 1
Unit cell lengths	94.442, 89.807, 59.665
Unit cell angles	90.00, 110.50, 90.00

Refinement procedure

Resolution	28.571 - 2.000
R-factor	0.216
Rwork	0.214
R-free	0.25600
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.728
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.571	28.571	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.055	0.020	0.717
Number of reflections	31219	6129	5618
<I/σ(I)>	9.72	31.5	1.2
Completeness [%]	97.3	97.5	92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	50.0000% PEG-200, 0.1M Citrate pH 5.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K