5V91

Crystal structure of fosfomycin resistance protein from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 2 21 21
Unit cell lengths	44.875, 67.540, 89.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.688 - 1.300
R-factor	0.127
Rwork	0.126
R-free	0.14900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v3d
RMSD bond length	0.007
RMSD bond angle	0.916
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.690
High resolution limit [Å]	1.250
Rmerge	0.048
Number of reflections	61827
<I/σ(I)>	19.3
Completeness [%]	81.5
Redundancy	5.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Protein was concentrated to 13mg/ml, and 1ul of protein was combined in hanging drops with 1ul of mother liquor (0.25M MgCl2, 20% PEG3350, 0.1M bis-tris pH 5.5). Resulting crystals were improved by streak seeding