3C9I

Structure of P22 Tail-Needle GP26 Bound to Xenon Gas

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-02
Detector	ADSC Q-270
Spacegroup name	P 1 21 1
Unit cell lengths	40.539, 114.531, 172.045
Unit cell angles	90.00, 91.01, 90.00

Refinement procedure

Resolution	20.000 - 1.950
R-factor	0.234
Rwork	0.234
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2poh
RMSD bond length	0.007
RMSD bond angle	1.260
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge		0.376
Number of reflections	103949
<I/σ(I)>	11.1	1.3
Completeness [%]	91.9	74.1
Redundancy	2.4	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	298	18% PEG 4000, 0.1M Ammonium Sulfate, 0.1M Ammonium Acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K, pH 4.60