1L0E

X-ray Crystal Structure of AmpC K67Q 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	2001-01-23
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	119.022, 76.077, 98.094
Unit cell angles	90.00, 115.84, 90.00

Refinement procedure

Resolution	20.000 - 1.900
Rwork	0.159
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fsy
RMSD bond length	0.014
RMSD bond angle	1.730 *
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	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.075	0.322
Total number of observations	243730 *
Number of reflections	62018
<I/σ(I)>	15.3	2.3
Completeness [%]	99.9	99.7
Redundancy	3.9

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)