1L0D

X-ray Crystal Structure of AmpC S64D Mutant beta-Lactamase

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	2000-05-16
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	118.672, 76.504, 97.722
Unit cell angles	90.00, 115.65, 90.00

Refinement procedure

Resolution	20.000 - 1.530
Rwork	0.186
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c3b
RMSD bond length	0.014
RMSD bond angle	1.780 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.570
High resolution limit [Å]	1.530	1.530
Rmerge	0.066	0.281
Total number of observations	427291 *
Number of reflections	118322
<I/σ(I)>	25.4	2.7
Completeness [%]	99.8	100
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	296	used to seeding, Usher, K.C., (1998) Biochemistry, 37, 16082. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium potassium phosphate	1.7 (M)	pH8.7
2	1	drop	protein	10 (mg/ml)