2ABQ

Crystal structure of fructose-1-phosphate kinase from Bacillus halodurans

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-16
Detector	ADSC QUANTAM Q315
Wavelength(s)	0.9790, 0.9794, 0.94
Spacegroup name	P 1
Unit cell lengths	42.620, 48.710, 79.050
Unit cell angles	82.38, 87.28, 82.14

Refinement procedure

Resolution	39.200 - 2.100
R-factor	0.2549
Rwork	0.255
R-free	0.29860
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.412
Data scaling software	SCALEPACK
Phasing software	SOLVE (& SHARP)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.067	0.362
Number of reflections	32984
<I/σ(I)>	21
Completeness [%]	90.1	69.7
Redundancy	3.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	PEG 3350, Bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	PEG 3350, Bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K