1YT4

Crystal structure of TEM-76 beta-lactamase at 1.4 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.03321
Spacegroup name	P 21 21 21
Unit cell lengths	41.601, 59.707, 88.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.400
R-factor	0.183
Rwork	0.183
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jwp
RMSD bond length	0.010
RMSD bond angle	1.570
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.042	0.384
Number of reflections	43334
<I/σ(I)>	15.42	2.37
Completeness [%]	98.2	97.8
Redundancy	8.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	296	sodium potassium phosphate, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 296K