2FKM

PMM/PGM S108D mutant with alpha-d-glucose 1,6-bisphosphate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-04
Detector	NOIR-1
Wavelength(s)	0.97909
Spacegroup name	P 21 21 21
Unit cell lengths	70.222, 70.356, 84.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.830 - 1.900
R-factor	0.205
Rwork	0.203
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb id 1P5D
RMSD bond length	0.009
RMSD bond angle	1.225
Data reduction software	DENZO
Data scaling software	d*TREK (9.3LDz)
Phasing software	CNS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.830	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.075	0.346
Number of reflections	33583
<I/σ(I)>	13.9	4
Completeness [%]	99.9	99.4
Redundancy	6.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	50-60% sat Na K tartrate, .1 M Na Hepes pH 7.5 seeding used, VAPOR DIFFUSION, HANGING DROP, temperature 298K