2IJJ

Crystal structure analysis of ColE1 ROM mutant F14Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2005-02-03
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	102.260, 45.647, 45.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.20625
Rwork	0.203
R-free	0.26257
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rop
RMSD bond length	0.021
RMSD bond angle	1.643
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER (1.2)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.010	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.047	0.293
Number of reflections	17351
<I/σ(I)>	16.3	3.8
Completeness [%]	98.6	93.1
Redundancy	4.94	4.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	273	Well solution: 22% MPD, 0.1 M sodium acetate pH 5.5, 0.1 M sodium chloride. Protein solution: protein 2.5 mg/ml, 0.01 M Tris pH 6.5, 0.05 M sodium chloride. Drops: equal volumes of well and protein solutions., VAPOR DIFFUSION, HANGING DROP, temperature 273K