7MQN

Crystal structure of class C beta lactamase from Rhodobacter sphaeroides

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	2020-07-22
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97913
Spacegroup name	C 1 2 1
Unit cell lengths	165.978, 72.090, 115.280
Unit cell angles	90.00, 132.79, 90.00

Refinement procedure

Resolution	42.450 - 2.210
R-factor	0.1839
Rwork	0.182
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6njk
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.119	0.123	0.665
Rmeas	0.138	0.143	0.772
Rpim	0.069	0.072	0.388
Total number of observations	185389
Number of reflections	49810	2546	2472
<I/σ(I)>	7.1
Completeness [%]	98.8	97.4	99
Redundancy	3.7	3.6	3.8
CC(1/2)		0.958	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	289	0.1 M Phosphate-citrate pH 4.2, 1.6M Sodium phosphate dibasic, 0.4M potassium phosphate monobasic