2XTY

Structure of QnrB1 (R167E-Trypsin Treated), a plasmid-mediated fluoroquinolone resistance protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	93
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	55.330, 55.330, 282.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.517 - 1.800
R-factor	0.1819
Rwork	0.180
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xtx
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.360
Number of reflections	40346
<I/σ(I)>	19.3	2.8
Completeness [%]	99.0	75.3
Redundancy	7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293	100 MM BISTRISPROPANE/CITRATE PH 7.5, 15% PEG 3350 AT 20 DEGREES C