1C3B

AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR, BENZO(B)THIOPHENE-2-BORONIC ACID (BZB)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-11-06
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	118.859, 78.012, 98.962
Unit cell angles	90.00, 116.07, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.167
Rwork	0.167
R-free	0.22400
RMSD bond length	0.011
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.094	0.137
Number of reflections	33738
<I/σ(I)>	11.4
Completeness [%]	86.6	76.4 *
Redundancy	1.8	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	23 *	used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	potassium phosphate	1.7 (M)
2	1	drop	protein	0.100 (mM)
3	1	drop	inhibitor	0.360 (mM)
4	1	drop	DMSO	2 (%)
5	1	drop	potassium phosphate	1.7 (M)