1TEM

6 ALPHA HYDROXYMETHYL PENICILLOIC ACID ACYLATED ON THE TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	263
Detector technology	IMAGE PLATE
Collection date	1995-12-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	42.100, 63.100, 88.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.950
R-factor	0.156
Rwork	0.156
R-free	0.20200
RMSD bond length	0.005
RMSD bond angle	1.269
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000 *
High resolution limit [Å]	1.950 *	1.950 *
Rmerge	0.046	0.076 *
Total number of observations	42284 *
Number of reflections	17104	1524 *
Completeness [%]	96.2	94.8 *
Redundancy	2.5

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 (%)