1I2S

BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE D41A
Synchrotron site	LURE
Beamline	D41A
Temperature [K]	288
Detector technology	AREA DETECTOR
Collection date	1998-10-22
Detector	MARRESEARCH
Wavelength(s)	1.375
Spacegroup name	P 1 21 1
Unit cell lengths	47.362, 106.817, 63.901
Unit cell angles	90.00, 94.43, 90.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.197
Rwork	0.197
R-free	0.23500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA)
Phasing software	AMoRE
Refinement software	X-PLOR ((ONLINE) 3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.740	1.700
High resolution limit [Å]	1.650 *	1.650 *
Rmerge	0.048	0.170 *
Total number of observations	165623 *
Number of reflections	70471
<I/σ(I)>	5.4	2.9
Completeness [%]	93.3	89.7 *
Redundancy	2.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	20 *	PEG 6000, sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG6000	25 (%)
3	1	reservoir	sodium acetate	100 (mM)	pH5.0