2ZQ7

Apo structure of Class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-12-10
Detector	RIGAKU RAXIS V
Wavelength(s)	0.8
Spacegroup name	P 32 2 1
Unit cell lengths	72.545, 72.545, 97.656
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 0.940
R-factor	0.1358
Rwork	0.135
R-free	0.14726
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iyo
RMSD bond length	0.010
RMSD bond angle	1.495
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.960
High resolution limit [Å]	0.940	0.940
Rmerge	0.075	0.384
Number of reflections	192768
<I/σ(I)>	25.99	4.32
Completeness [%]	99.9	98.9
Redundancy	10.1	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	1.95-2.10M Ammonium sulfate, 0.2M sodium citrate, pH5.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K