1KGG

STRUCTURE OF BETA-LACTAMASE GLU166GLN:ASN170ASP MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	293
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	I 2 2 2
Unit cell lengths	54.000, 94.800, 138.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.178 *
Rwork	0.178
R-free	0.26300
Structure solution method	OTHER
Starting model (for MR)	3blm
RMSD bond length	0.018
RMSD bond angle	1.900
Data reduction software	X-GEN
Data scaling software	X-GEN
Refinement software	X-PLOR (3.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.114	0.441
Number of reflections	15531	2665 *
<I/σ(I)>	11.8	1.8
Completeness [%]	95.6	87.1
Redundancy	3.4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	89 (%sat)
2	1	reservoir	PEG2000	0.5 (%)
3	1	reservoir	sodium bicarbonate	0.1 (M)
4	1	drop	enzyme	10 (mg/ml)