3BFC

class A beta-lactamase SED-G238C complexed with imipenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-16
Detector	MARRESEARCH
Wavelength(s)	0.984
Spacegroup name	C 1 2 1
Unit cell lengths	188.436, 73.399, 105.050
Unit cell angles	90.00, 122.36, 90.00

Refinement procedure

Resolution	35.000 - 2.200
R-factor	0.215
Rwork	0.206
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bfd
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	60669
<I/σ(I)>	8.2	2.87
Completeness [%]	98.4	90.4
Redundancy	3.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	35% PEG MME 2000, 200mM KSCN, 100mM SODIUM CACODYLATE pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K