5I47

Crystal structure of RimK domain protein ATP-grasp from Sphaerobacter thermophilus DSM 20745

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	62.641, 64.819, 160.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.196 - 2.350
R-factor	0.2028
Rwork	0.201
R-free	0.23860
RMSD bond length	0.003
RMSD bond angle	0.531
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.071	0.036	0.715
Rmeas	0.077	0.040	0.779
Rpim	0.029	0.016	0.305
Total number of observations	191899
Number of reflections	27874
<I/σ(I)>	9.1
Completeness [%]	99.6	99.5	96.4
Redundancy	6.9	6.2	6
CC(1/2)		0.996	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	297	Ammonium sulfate, Bis-Tris