1S08

Crystal Structure of the D147N 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	2002-11-26
Detector	MARRESEARCH
Wavelength(s)	1.10
Spacegroup name	P 1 21 1
Unit cell lengths	58.080, 56.527, 120.993
Unit cell angles	90.00, 96.32, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.20294
Rwork	0.202
R-free	0.22700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wild-type dimer
RMSD bond length	0.013
RMSD bond angle	1.600 *
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	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.089 *	0.331 *
Total number of observations	149282 *
Number of reflections	44599 *
<I/σ(I)>	11.8	2.9
Completeness [%]	99.7	99.2
Redundancy	3.3	3.3

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)