1M6K

Structure of the OXA-1 class D beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.935
Spacegroup name	P 1
Unit cell lengths	36.020, 51.620, 72.890
Unit cell angles	70.19, 84.11, 81.51

Refinement procedure

Resolution	75.000 * - 1.500
R-factor	0.182
Rwork	0.182
R-free	0.20400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1FOF and 1E4D
RMSD bond length	0.005
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500 *	1.500
Rmerge	0.049	0.123
Total number of observations	183270 *
Number of reflections	69838 *	2979 *
<I/σ(I)>	23.6	5.9
Completeness [%]	86.5	36.9
Redundancy	2.62 *	1.53 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	used macroseeding *
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5-3 (mg/ml)
2	1	drop	PEG8000	10 (%)
3	1	drop	HEPES	0.05 (M)	pH7.5
4	1	reservoir	PEG8000	20 (%)