1IYS

Crystal Structure of Class A beta-Lactamase Toho-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-23
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	72.592, 72.592, 97.891
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.650
R-factor	0.184
Rwork	0.182
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.800 *	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.072 *	0.102 *
Total number of observations	631678 *
Number of reflections	36271 *	5246 *
Completeness [%]	100.0	99.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	15-20 *	ammonium sulfate, sodium acetate, acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	5 (mM)	pH7.0
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	ammonium sulfate	1.9-2.0 (M)