5DM4

Crystal structure of the plantazolicin methyltransferase BpumL in complex with pentazolic desmethylPZN analog and SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	80
Detector technology	CCD
Collection date	2013-07-28
Detector	RAYONIX MX-300
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	67.813, 78.844, 44.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.750
R-factor	0.2027
Rwork	0.201
R-free	0.24303
RMSD bond length	0.006
RMSD bond angle	1.771
Data scaling software	HKL-2000
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	1.750
Number of reflections	25053
<I/σ(I)>	10.7
Completeness [%]	100.0
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		282	100mM Bis-tris pH 5.5, 200mM Li2SO4, 22-26% PEG3350