4FQW

Crystal Structure of AAAA+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	2008-12-10
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.300, 149.220, 79.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.020
R-factor	0.1947
Rwork	0.191
R-free	0.25846
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.019
RMSD bond angle	1.880
Data reduction software	d*TREK (9.7 W8RSSI)
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	19.740	2.090
High resolution limit [Å]	2.020	4.340	2.020
Rmerge	0.047	0.025	0.302
Number of reflections	17878
<I/σ(I)>	15.1	41.3	3.6
Completeness [%]	86.0	89.7	82.4
Redundancy	3.96	4.78	3.56

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