4ZNB

METALLO-BETA-LACTAMASE (C181S MUTANT)

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	P 43 21 2
Unit cell lengths	78.000, 78.000, 139.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.650
R-factor	0.173
Rwork	0.173
R-free	0.25000
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.900	2.820
High resolution limit [Å]	2.650	2.650
Rmerge	0.143	0.452
Number of reflections	12469	1781 *
<I/σ(I)>	2	2
Completeness [%]	95.0	83
Redundancy	5.5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	HEPES	10 (mM)
3	1	drop		0.01 (mM)
4	1	drop		0.3 (M)
5	1	reservoir	PEG2000	26-28 (%)
6	1	reservoir	HEPES	0.1 (M)