2OO7

Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (T179I/Q199R)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-03-19
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	34.810, 75.760, 77.460
Unit cell angles	90.00, 98.15, 90.00

Refinement procedure

Resolution	25.000 - 1.800
Rwork	0.197
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eu8
RMSD bond length	0.005
RMSD bond angle	1.224
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	30.440
High resolution limit [Å]	1.800
Rmerge	0.021
Number of reflections	34509
<I/σ(I)>	24.2
Completeness [%]	93.4
Redundancy	1.72

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