2Z3N

complex structure of LF-transferase and peptide B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	114.936, 130.101, 38.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.740 - 2.500
R-factor	0.222
Rwork	0.222
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dps
RMSD bond length	0.007
RMSD bond angle	1.300
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	20732
<I/σ(I)>	41.2	3.4
Completeness [%]	99.5	95.5
Redundancy	6.8	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	50mM HEPES-Na, 0.7M tri-sodium tartrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K