3FWL

Crystal Structure of the Full-Length Transglycosylase PBP1b from Escherichia coli

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97882, 0.97899, 0.96358
Spacegroup name	P 21 21 2
Unit cell lengths	63.245, 296.997, 62.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.257 - 3.086
R-factor	0.2145
Rwork	0.211
R-free	0.27330
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.082
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.13)
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	3.086
Number of reflections	21677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	20mM Tris, 300mM NaCl, 0.28mM n-Dodecyl-N,N-dimethylamine-N-oxide (LDAO), 1.2M sodium formate, 0.01M beta-Nicotinamide adenine dinucleotide hydrate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K