1QJ5

Crystal structure of 7,8-diaminopelargonic acid synthase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-10-15
Detector	MARRESEARCH
Wavelength(s)	0.8265, 0.9082, 0.9918, 1.007
Spacegroup name	P 1 21 1
Unit cell lengths	58.338, 55.556, 120.884
Unit cell angles	90.00, 96.97, 90.00

Refinement procedure

Resolution	20.000 - 1.800
Rwork	0.175
R-free	0.22600
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.068 *	0.305 *
Total number of observations	149599 *
Number of reflections	67496 *
<I/σ(I)>	14	2.8
Completeness [%]	94.4	81.3
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.3 *		drop consists of equal volume of protein and precipitant solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG4000	21 (%)	precipitant
3	1	reservoir	2-propanol	12 (%)	precipitant