6C79

Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Detector technology	CCD
Collection date	2015-01-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 32 2 1
Unit cell lengths	72.720, 72.720, 98.944
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.360 - 1.100
Rwork	0.144
R-free	0.16420
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.360	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.063	0.470
Rpim	0.030	0.320
Number of reflections	114156
<I/σ(I)>	6.3	1.5
Completeness [%]	92.7	90.4
Redundancy	4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.1	293	10 mg/ml protein in a solution containing 2.0 M ammonium sulfate and 0.1 M sodium citrate (pH 6.1)