3BZY

Crystal structure of the mutated Y316D EscU C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	55.882, 58.832, 72.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.600 - 1.200
R-factor	0.14404
Rwork	0.142
R-free	0.17801
RMSD bond length	0.036
RMSD bond angle	3.032
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.240
High resolution limit [Å]	1.200	2.590	1.200
Rmerge	0.042	0.028	0.350
Number of reflections	36351
<I/σ(I)>	13.3
Completeness [%]	97.0	98.2	77.7
Redundancy	6.6	7.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	293	Li2SO4, Bis-Tris, Peg3350, NaCl, pH 5.5, Microbatch, temperature 293K