1PZP

TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-04
Detector	MARRESEARCH
Wavelength(s)	0.97014
Spacegroup name	P 21 21 21
Unit cell lengths	41.553, 60.673, 89.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.470 *
R-factor	0.20313
Rwork	0.201
R-free	0.23400 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019 *
RMSD bond angle	1.890 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.530
High resolution limit [Å]	1.470 *	1.470 *
Rmerge	0.060	0.444
Number of reflections	38464 *
<I/σ(I)>	5.77	1.6
Completeness [%]	99.5 *	99.8
Redundancy	4.9	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	8 *	295	Wang, X., (2002) J.Mol.Biol., 320, 85. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium phosphate	1.5 (M)	pH8.0