3I0D

Crystal structure of GTB C80S/C196S + UDP

Experimental procedure

Experimental method	Molecular Replacement
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-04-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	52.296, 149.262, 79.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.220 - 1.900
R-factor	0.18642
Rwork	0.184
R-free	0.22939
Structure solution method	MR
Starting model (for MR)	1lz7
RMSD bond length	0.025
RMSD bond angle	2.189
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.890	19.890	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.078	0.049	0.314
Number of reflections	24723
<I/σ(I)>		23.9	4.2
Completeness [%]	99.0	95.1	99.7
Redundancy	4.29	4.28	4.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	279.15	35mM sodium acetate pH 4.6, 45 mM ADA, 30mM sodium chloride, 3-4 mM magnesium chloride, 3-3.5% PEG 4000, vapor diffusion, hanging drop, temperature 279.15K