7QNK

Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8726
Spacegroup name	P 43 21 2
Unit cell lengths	89.501, 89.501, 500.895
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.21133
Rwork	0.209
R-free	0.24829
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jyi
RMSD bond length	0.008
RMSD bond angle	1.484
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.000	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	71685	4915
<I/σ(I)>	7	1.56
Completeness [%]	99.8
Redundancy	5.8
CC(1/2)	0.990	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5.