1P4D

F factor TraI Relaxase Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	93
Detector technology	CCD
Collection date	2003-02-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9713
Spacegroup name	P 31 2 1
Unit cell lengths	128.219, 128.219, 121.184
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.600
R-factor	0.238
Rwork	0.233
R-free	0.27800
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	22.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.054 *	0.337 *
Number of reflections	34650
<I/σ(I)>	43.3
Completeness [%]	96.8 *	92.3
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.25 *	294	Larkin, C., (2003) Acta Crystallogr., D59, 1514. *
1	VAPOR DIFFUSION, SITTING DROP	8.25 *	294	Larkin, C., (2003) Acta Crystallogr., D59, 1514. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	drop	Tris	25 (mM)	pH8.25
3	1	drop	EDTA	0.1 (mM)
4	1	drop	beta-mercaptoethanol	0.5 (mM)
5	1	drop		50 (mM)