1AXB

TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI INHIBITED WITH AN ACYLATION TRANSITION STATE ANALOG

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1995-12-07
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	42.040, 60.970, 88.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.156
Rwork	0.156
R-free	0.20600
Structure solution method	FOURIER DIFFERENCE METHOD, STARTING WITH 1BTL
RMSD bond length	0.006
RMSD bond angle	22.250 *
Data reduction software	PROCESS ((MSC))
Data scaling software	PROCESS ((MSC))
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.010	2.250
High resolution limit [Å]	2.000	2.000
Rmerge	0.063	0.144
Total number of observations	38707 *
Number of reflections	14698	3909 *
Completeness [%]	93.5	86.2 *
Redundancy	2.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.8	6 *	Jelsch, C., (1992) J. Mol. Biol., 223, 377. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	sodium phosphate	60 (mM)
3	1	drop	ammonium sulfate	10 (%sat)
4	1	reservoir	sodium phosphate	60 (mM)
5	1	reservoir	ammonium sulfate	46 (%sat)
6	1	reservoir	aceton	4 (%)