1K56

OXA 10 class D beta-lactamase at pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-04
Detector	MARRESEARCH
Wavelength(s)	0.934
Spacegroup name	P 1 21 1
Unit cell lengths	66.652, 82.430, 101.715
Unit cell angles	90.00, 95.49, 90.00

Refinement procedure

Resolution	27.000 - 1.700
R-factor	0.18344 *
Rwork	0.183
R-free	0.22068
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1e4d
RMSD bond length	0.018
RMSD bond angle	1.686 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.400	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.068	0.341
Total number of observations	307069 *
Number of reflections	118305	17487 *
<I/σ(I)>	12.2	4.1
Completeness [%]	98.3	99.7
Redundancy	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8 *	4 *	ammonium sulphate, HEPES. Crystallization occured at pH 7.5. After obtaining the crystal, the pH was lowered to 6.5 for data collection., VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	sodium potassium phosphate	20 (mM)	pH7.8
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	Tris-HCl	100 (mM)	pH8.5, or 100mM Na/Hepes(pH7.5)