4FRM

Crystal Structure of BBBB+UDP+Gal at pH 7.0 with MPD as the cryoprotectant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-26
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	52.203, 150.598, 79.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.17518
Rwork	0.173
R-free	0.21834
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sxg
RMSD bond length	0.020
RMSD bond angle	1.969
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.158	0.174	0.218
Number of reflections	24932
<I/σ(I)>	19.8
Completeness [%]	99.4	94.9	100
Redundancy	5.7	5.4	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1% PEG 4000, 5% MPD, 5 mM manganese chloride, 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM Tris-HCl, 30 mM sodium acetate with 20% MPD as cryoprotectant, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K