1MLY

Crystal Structure of 7,8-Diaminopelargonic Acid Synthase in complex with the cis isomer of amiclenomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-16
Detector	MARRESEARCH
Wavelength(s)	0.968
Spacegroup name	C 1 2 1
Unit cell lengths	128.655, 56.073, 116.174
Unit cell angles	90.00, 109.86, 90.00

Refinement procedure

Resolution	20.000 - 1.810
R-factor	0.19572
Rwork	0.194
R-free	0.22000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.376
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.910
High resolution limit [Å]	1.810	1.810
Rmerge	0.062 *	0.259 *
Total number of observations	276229 *
Number of reflections	69507 *
<I/σ(I)>	17.4	3.4
Completeness [%]	99.0	94.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	294	Kack, H., (1998) Acta Crystallogr., D54, 1397. *

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 (%)
3	1	reservoir	2-propanol	12 (%)