6KA5

Crystal structure of a class C beta-lactamase in complex with cefoxitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	133.092, 60.340, 56.490
Unit cell angles	90.00, 111.93, 90.00

Refinement procedure

Resolution	41.210 - 1.590
R-factor	0.16
Rwork	0.159
R-free	0.19130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ixh
RMSD bond length	0.009
RMSD bond angle	1.063
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.620
High resolution limit [Å]	1.586	4.320	1.590
Rmerge	0.070	0.051	0.213
Rmeas	0.077	0.056	0.243
Rpim	0.033	0.023	0.115
Number of reflections	52020	2861	2662
<I/σ(I)>	20.2
Completeness [%]	92.6	98.9	95.7
Redundancy	4.9	5.7	4.2
CC(1/2)		0.997	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	0.1M sodium cacodylate pH 5.5 0.2M sodium chloride 35% polyethylene glycol 400