1FQG

MOLECULAR STRUCTURE OF THE ACYL-ENZYME INTERMEDIATE IN TEM-1 BETA-LACTAMASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1992-04-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	62.200, 88.300, 41.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.182
Rwork	0.182
RMSD bond length	0.016 *
RMSD bond angle	3.100 *
Data reduction software	ROTAVATA
Data scaling software	CCP4 ((AGROVATA)
Phasing software	MLPHARE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.220 *	0.106
Number of reflections	24067
<I/σ(I)>	10.2
Completeness [%]	92.0	82.9
Redundancy	4.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	8	298	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium potassium phosphate	1.4 (M)	pH8