4FRB

Crystal Structure of ABBA+UDP+Gal at pH 8.0 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	2008-11-28
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.530, 149.730, 79.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.540
R-factor	0.1824
Rwork	0.181
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.026
RMSD bond angle	2.305
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	19.840	1.600
High resolution limit [Å]	1.540	3.310	1.540
Rmerge	0.036	0.017	0.287
Total number of observations		23197	17475
Number of reflections	45812
<I/σ(I)>	19.6	66.5	3.9
Completeness [%]	98.1	91.5	99
Redundancy	4.56	5.15	3.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	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 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K