5DO0

The structure of PKMT1 from Rickettsia prowazekii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	98.498, 62.466, 107.853
Unit cell angles	90.00, 100.78, 90.00

Refinement procedure

Resolution	48.379 - 2.600
R-factor	0.2151
Rwork	0.214
R-free	0.24310
RMSD bond length	0.004
RMSD bond angle	0.856
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge		0.065	0.685
Total number of observations	148342
Number of reflections	40220
<I/σ(I)>	5.4
Completeness [%]	99.5	98.8	96.9
Redundancy	3.7	3.7	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M HEPES-NaOH buffer at pH 7.5, 10 % v/v isopropanol, 20 % w/v polyethylene glycol 4000