2IJH

Crystal structure analysis of ColE1 ROM mutant F14W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2005-01-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	102.480, 44.790, 45.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 1.800
R-factor	0.19377
Rwork	0.192
R-free	0.23038
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rop
RMSD bond length	0.020
RMSD bond angle	1.486
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]	19.970	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.040	0.294
Number of reflections	20252
<I/σ(I)>	16	3.8
Completeness [%]	99.8	97.9
Redundancy	3.24	3.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	273	Well solution: 20% glycerol, 0.1 M sodium acetate pH 5.5, 0.1 M sodium chloride. Protein solution: protein 5 mg/ml, 0.01 M Tris pH 6.8, 0.05 M sodium chloride. Drops: equal volumes of well and protein solutions., VAPOR DIFFUSION, HANGING DROP, temperature 273K