2E1B

Crystal structure of the AlaX-M trans-editing enzyme from Pyrococcus horikoshii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 62
Unit cell lengths	80.223, 80.223, 72.269
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.110 - 2.700
R-factor	0.227
Rwork	0.227
R-free	0.31300
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.060	0.340
Number of reflections	7167
<I/σ(I)>	34.9	2
Completeness [%]	97.7	90.2
Redundancy	7.8	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	100mM Bicine-NaOH buffer (pH 9.0), 22% PEG6000, 0.1M ammoniumacetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	9	293	100mM Bicine-NaOH buffer (pH 9.0), 22% PEG6000, 0.1M ammoniumacetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K