6BN3

CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980100
Spacegroup name	C 1 2 1
Unit cell lengths	95.790, 41.810, 56.450
Unit cell angles	90.00, 94.14, 90.00

Refinement procedure

Resolution	47.770 - 1.278
R-factor	0.1687
Rwork	0.166
R-free	0.21440
RMSD bond length	0.006
RMSD bond angle	1.108
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.12-2829)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.770
High resolution limit [Å]	1.278
Number of reflections	56873
<I/σ(I)>	12.5
Completeness [%]	98.1
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	20% PEG 8000, 0.1 M Hepes, pH 7.8