4YRZ

Crystal Structure of LuxP In Complex With L-xylulofuranose-1,2-borate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0719
Spacegroup name	P 21 21 21
Unit cell lengths	74.500, 85.036, 130.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.187 - 2.571
R-factor	0.1745
Rwork	0.171
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yr7
RMSD bond length	0.013
RMSD bond angle	1.399
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.187	2.660
High resolution limit [Å]	2.570	2.570
Rmerge	0.197	0.929
Total number of observations	280473
Number of reflections	26994
<I/σ(I)>	11.8	1.4
Completeness [%]	99.4	94.2
Redundancy	10.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	12% PEG 8000, 100mM sodium cacodylate pH 6.6