9IUW

Structure of AlaX-M trans-editing enzyme from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-01-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	113.230, 37.080, 59.070
Unit cell angles	90.00, 103.56, 90.00

Refinement procedure

Resolution	35.770 - 1.780
R-factor	0.1913
Rwork	0.189
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.868
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.770	1.840
High resolution limit [Å]	1.780	1.780
Rmerge	0.048	0.180
Rmeas	0.060	0.230
Number of reflections	23027	5127
<I/σ(I)>	11.78	3.88
Completeness [%]	99.3	99.04
Redundancy	2.4	2.2
CC(1/2)	0.990	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000