2VNL

MUTANT Y108Wdel OF THE HEADBINDING DOMAIN OF PHAGE P22 TAILSPIKE C- TERMINally fused to ISOLEUCINE ZIPPER pIIGCN4 (chimera II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-27
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	58.012, 58.012, 156.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.370 - 1.800
R-factor	0.192
Rwork	0.190
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1LKT 1ebo
RMSD bond length	0.013
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.800	1.800
Rmerge	0.050	0.380
Number of reflections	17904
<I/σ(I)>	22.5	5
Completeness [%]	98.5	95.5
Redundancy	7.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		VAPOR DIFFUSION, HANGING DROP. PROTEIN: CONC. 9.3 MG/ML,BUFFER 50MM HEPES, PH6.5; RESERVOIR:20% ISOPROPANOL, 0.1M NA-ACETATE, PH4.6, 0.2M CACL2; DROPLET 2 MICROL:2 MICROL.CRYO:30% GLYCEROL.