1S06

Crystal Structure of the R253K 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	58.080, 56.527, 120.993
Unit cell angles	90.00, 96.32, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.19327
Rwork	0.191
R-free	0.22500 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	WT dimer
RMSD bond length	0.014
RMSD bond angle	1.600 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SFALL
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.124 *	0.421 *
Total number of observations	138828 *
Number of reflections	39626
<I/σ(I)>	11	2.4
Completeness [%]	99.2	98.2
Redundancy	3.5	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 100K

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)