1QJ3

Crystal structure of 7,8-diaminopelargonic acid synthase in complex with 7-keto-8-aminopelargonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-10-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	57.970, 55.940, 120.840
Unit cell angles	90.00, 95.69, 90.00

Refinement procedure

Resolution	20.000 - 2.700
Rwork	0.225
R-free	0.27900
Structure solution method	OTHER
RMSD bond length	0.009
RMSD bond angle	0.033
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	2.820
High resolution limit [Å]	2.700	2.700
Rmerge	0.104 *	0.326 *
Total number of observations	124908 *
Number of reflections	21479
<I/σ(I)>	17.6	5.4
Completeness [%]	99.9	99.7
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.3 *	293	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