3FVZ

Structure of Peptidyl-alpha-hydroxyglycine alpha-Amidating Lyase (PAL)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-18
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.28241
Spacegroup name	P 21 21 21
Unit cell lengths	52.176, 75.056, 97.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.220 - 2.350
R-factor	0.20615
Rwork	0.203
R-free	0.26333
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.215
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.220	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	16524
<I/σ(I)>	60.9	4.2
Completeness [%]	99.7	96.9
Redundancy	11.3	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.1M sodium acetate pH=4.8, 0.2mM zinc(II) acetate, 0.2mM iron(III) chloride - 0.2ml mother liquor in reservoir, VAPOR DIFFUSION, HANGING DROP, temperature 293K