2WYX

Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant

Experimental procedure

Source type	NUCLEAR REACTOR
Source details	ILL BEAMLINE LADI III
Synchrotron site	ILL
Beamline	LADI III
Detector technology	IMAGE PLATE
Collection date	2009-09-03
Wavelength(s)	3.7
Spacegroup name	P 32 2 1
Unit cell lengths	72.993, 72.993, 98.365
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.409 - 2.100
R-factor	0.226
Rwork	0.223
R-free	0.25790
RMSD bond length	0.014
RMSD bond angle	1.100
Data reduction software	LAUEGEN
Data scaling software	LAUEGEN
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.400	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.177	0.241
Number of reflections	15814
<I/σ(I)>	10.4	7
Completeness [%]	88.6	78
Redundancy	8.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5