4L7V

Crystal structure of Protein L-isoaspartyl-O-methyltransferase of Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-07-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	46.904, 46.904, 161.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.036 - 2.050
R-factor	0.2398
Rwork	0.238
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lbf
RMSD bond length	0.006
RMSD bond angle	0.968
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.036	45.036
High resolution limit [Å]	2.050	2.050
Rmerge	0.145
Number of reflections	12013
<I/σ(I)>	5.15
Completeness [%]	99.9	99.87
Redundancy	5.06

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.2M calcium acetate, 0.1M sodium acetate pH 4.8, 27% PEG 4000, 2% 1,4-dioxane , VAPOR DIFFUSION, HANGING DROP, temperature 293K