3RYD

Crystal structure of Ca bound IMPase family protein from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2011-04-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.878, 68.046, 143.898
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.680 - 2.370
R-factor	0.1945
Rwork	0.190
R-free	0.27840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.663
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.949	19.866	2.490
High resolution limit [Å]	2.367	7.480	2.370
Rmerge		0.040	0.621
Rmeas		0.043	0.674
Rpim		0.017	0.257
Total number of observations		4607	19403
Number of reflections	20973
<I/σ(I)>	13.6	33.5	3.5
Completeness [%]	99.2	94.4	95.9
Redundancy	7	6.4	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.15M Sodium Potassium tartrate, 22%(w/v) PEG 3350, 0.1M HEPES pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K