4GBP

Crystal Structure of BBBB+UDP+Gal at pH 10 with MPD as the cryoprotectant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-03-10
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.189, 150.769, 79.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.150
R-factor	0.16294
Rwork	0.160
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.018
RMSD bond angle	1.853
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.113	0.051	0.483
Number of reflections	17468
<I/σ(I)>	10.2
Completeness [%]	100.0	99.7	100
Redundancy	6.9	6	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	HANGING DROP	10	298	1% PEG 4000, 5% MPD, 5 mM manganese chloride, 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM glycine, 30 mM sodium acetate with 20% MPD as cryoprotectant, HANGING DROP, temperature 298K