4B5S

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	151.740, 151.740, 151.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.554 - 1.680
R-factor	0.1536
Rwork	0.151
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v5j
RMSD bond length	0.018
RMSD bond angle	1.647
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.700	1.720
High resolution limit [Å]	1.680	1.680
Rmerge	0.020	0.410
Number of reflections	131767
<I/σ(I)>	19.2	2
Completeness [%]	99.9	100
Redundancy	21.4	19.15

Crystallization Conditions

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