3ZDJ

Ancestral (ENCA) beta-lactamase class A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	297
Detector technology	CCD
Collection date	2012-10-10
Detector	BRUKER SMART 6000
Spacegroup name	P 64
Unit cell lengths	111.144, 111.144, 93.722
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.127 - 2.400
R-factor	0.1626
Rwork	0.160
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qpn
RMSD bond length	0.013
RMSD bond angle	1.296
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.130	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.080	0.570
Number of reflections	26073
<I/σ(I)>	15.38	1.73
Completeness [%]	100.0	100
Redundancy	21.17	20.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION			COUNTER-DIFFUSION, 2M LI-SULPHATE, 0.1M NA-HEPES PH 7.50