6XG1

Class C beta-lactamase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-21
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97911
Spacegroup name	C 1 2 1
Unit cell lengths	154.865, 46.176, 108.909
Unit cell angles	90.00, 116.54, 90.00

Refinement procedure

Resolution	43.810 - 1.220
R-factor	0.1618
Rwork	0.161
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6WA7
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.240
High resolution limit [Å]	1.220	3.310	1.220
Rmerge	0.083	0.067	0.587
Rmeas	0.092	0.074	0.654
Rpim	0.039	0.032	0.283
Total number of observations	1082465
Number of reflections	202144	10485	9850
<I/σ(I)>	5.7
Completeness [%]	98.3	98.7	96.5
Redundancy	5.4	5.4	5.1
CC(1/2)		0.992	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	0.1M HEPES, 10% 2-propanol, 20% PEG4000