3IFJ

Crystal structure of Mtu recA intein, splicing domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-01-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	39.810, 86.560, 92.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.300 - 1.900
Rwork	0.218
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2in9
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	CrystalClear
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.300	29.300	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.079	0.037	0.443
Total number of observations		14393	13225
Number of reflections	26054
<I/σ(I)>	9.6	26	2.8
Completeness [%]	100.0	100	100
Redundancy	5.25	5.15	5.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	55% (NH4)2SO4, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K