5HVI

Crystal structure of TEM1 beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-06
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	60.663, 84.156, 95.703
Unit cell angles	90.00, 90.07, 90.00

Refinement procedure

Resolution	63.198 - 1.640
R-factor	0.1693
Rwork	0.167
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1btl
RMSD bond length	0.008
RMSD bond angle	1.132
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.200	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.061	0.334
Rpim	0.037
Total number of observations	409738
Number of reflections	113836
<I/σ(I)>	15.1	3.4
Completeness [%]	96.9	89.6
Redundancy	3.6	3.4
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350