3F7W

Crystal structure of putative fructosamine-3-kinase (YP_290396.1) from THERMOBIFIDA FUSCA YX-ER1 at 1.85 A resolution

Replaces:  3D1U

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918381,0.979224,0.978618
Spacegroup name	P 43 21 2
Unit cell lengths	91.178, 91.178, 82.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.916 - 1.850
R-factor	0.167
Rwork	0.165
R-free	0.20400
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.411
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.916	28.920	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.067	0.029	0.683
Total number of observations		2317	15742
Number of reflections	30125
<I/σ(I)>	7.325	20.7	1.1
Completeness [%]	99.9	97	100
Redundancy	7	5.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	1.0000M LiCl, 10.0000% PEG-6000, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K