1S0A

Crystal Structure of the Y17F Mutant of 7,8-Diaminopelargonic Acid Synthase

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	2002-09-14
Detector	MARRESEARCH
Wavelength(s)	1.13
Spacegroup name	P 1 21 1
Unit cell lengths	58.508, 55.659, 121.396
Unit cell angles	90.00, 97.04, 90.00

Refinement procedure

Resolution	20.000 * - 1.700 *
R-factor	0.18692
Rwork	0.186
R-free	0.20800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wild-type dimer
RMSD bond length	0.009 *
RMSD bond angle	1.300 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.800
High resolution limit [Å]	1.700 *	1.710
Rmerge	0.096 *	0.408 *
Total number of observations	325020 *
Number of reflections	81351 *
<I/σ(I)>	11.5	2.6
Completeness [%]	97.2	90.7
Redundancy	4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	20 *	PEG4000, MPD, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	26-28 (%)
2	1	reservoir	MPD	9-12 (%)
3	1	reservoir	HEPES	100 (mM)	pH7.5
4	1	drop	protein	10 (mg/ml)