4B5T

Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with ketobutyrate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 3
Unit cell lengths	151.327, 151.327, 151.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.832 - 1.923
R-factor	0.1579
Rwork	0.155
R-free	0.18560
Structure solution method	MAD
Starting model (for MR)	2v5j
RMSD bond length	0.011
RMSD bond angle	1.324
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	2.030
High resolution limit [Å]	1.920	1.920
Rmerge	0.030	0.240
Number of reflections	87457
<I/σ(I)>	12.9	2.8
Completeness [%]	99.7	98.1
Redundancy	23.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.5 M AMMONIUM DIHYDROGEN PHOSPHATE, 30% GLYCEROL, 2 MM COCL2 PH 5