3L76

Crystal Structure of Aspartate Kinase from Synechocystis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97924, 0.97939
Spacegroup name	C 2 2 21
Unit cell lengths	86.210, 237.710, 150.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.400 - 2.540
R-factor	0.2021
Rwork	0.199
R-free	0.25470
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.152
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.400	2.640
High resolution limit [Å]	2.540	2.540
Rmerge	0.074	0.533
Number of reflections	51063
<I/σ(I)>	24.9	4.03
Completeness [%]	98.0	95.3
Redundancy	7.33	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1M Ammonium sulafte, 0.15 M Ammonium citrate, 9.5% PEG 3350, 2mM lysine, 2mM threonine, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1M Ammonium sulafte, 0.15 M Ammonium citrate, 9.5% PEG 3350, 2mM lysine, 2mM threonine, VAPOR DIFFUSION, HANGING DROP, temperature 293K