6N1N

Crystal structure of class D beta-lactamase from Sebaldella termitidis ATCC 33386

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97933
Spacegroup name	P 21 21 2
Unit cell lengths	63.510, 97.546, 40.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.916 - 1.601
R-factor	0.1619
Rwork	0.160
R-free	0.20100
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.061
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.14rc1_3161: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.135	1.338
Number of reflections	32985	1543
<I/σ(I)>	17.5	1.51
Completeness [%]	97.6	93.6
Redundancy	9.5	7.8
CC(1/2)	0.998	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0. 2 M Li2SO4, ).1 M Tris/HCl, pH 8.5, 25% PEG3350, cryo 10% glycerol