4M55

Crystal structure of Human UDP-xylose synthase R236H substitution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	83.171, 85.145, 292.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.312 - 2.860
R-factor	0.2311
Rwork	0.228
R-free	0.28480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.123
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	42.300	2.960
High resolution limit [Å]	2.860	8.190	2.860
Rmerge	0.124	0.044	1.830
Number of reflections	52758
<I/σ(I)>	11.6	34.88	1.2
Completeness [%]	99.1		99.11
Redundancy	6.15	5.5	5.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.95	298	0.5 M ammonium sulfate, 0.5 M sodium acetate, 0.1 M imidazole, 0.1 M HCl, pH 5.95, VAPOR DIFFUSION, HANGING DROP, temperature 298K