1JTD

Crystal structure of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-12-14
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	47.525, 84.918, 147.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.540 - 2.300
R-factor	0.178 *
Rwork	0.178
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TEM-1 beta-lactamase
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.053 *	0.132 *
Total number of observations	92242 *
Number of reflections	27197
<I/σ(I)>	20	7.6
Completeness [%]	98.3	89.5
Redundancy	3.39	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	20 *	PEG8000, calcium acetate, sodium cacodylate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	50 (mM)
2	1	drop		150 (mM)
3	1	drop	protein	10 (mg/ml)
4	1	reservoir	PEG8000	24 (%(w/v))
5	1	reservoir	calcium acetate	20 (mM)
6	1	reservoir	sodium cacodylate	67 (mM)