2P3S

Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (G214R/Q199R)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-05-15
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	44.000, 45.522, 100.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.950 - 1.800
Rwork	0.198
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eu8
RMSD bond length	0.008
RMSD bond angle	1.413
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	26.950
High resolution limit [Å]	1.800
Rmerge	0.032
Number of reflections	18560
<I/σ(I)>	23.5
Completeness [%]	95.8
Redundancy	3.38

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	CHESS, PEG 1500, CaCl2, pH 9.0, vapor diffusion, hanging drop, temperature 293K