4FRA

Crystal Structure of ABBA+UDP+Gal at pH 5.0 with MPD as the cryoprotectant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-11-26
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.560, 149.670, 79.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.430
R-factor	0.18424
Rwork	0.183
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.027
RMSD bond angle	2.548
Data reduction software	d*TREK (9.4SSI)
Data scaling software	d*TREK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	19.810	1.480
High resolution limit [Å]	1.430	3.080	1.430
Rmerge	0.029	0.016	0.292
Number of reflections	55128
<I/σ(I)>	23.5	75.7	3.8
Completeness [%]	94.8	89.5	91.2
Redundancy	4.27	4.95	3.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	1% PEG 4000, 5% MPD, 5 mM manganese chloride, 100 mM ammonium sulfate, 70 mM sodium chloride,50 mM ADA, 30 mM sodium acetate with 20% MPD as cryoprotectant, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K