3C03

Crystal structure of the EscU C-terminal domain with P263A mutation,space group P 1 21 1

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)	0.97956
Spacegroup name	P 1 21 1
Unit cell lengths	36.111, 55.478, 50.448
Unit cell angles	90.00, 108.69, 90.00

Refinement procedure

Resolution	16.000 - 1.900
R-factor	0.176
Rwork	0.173
R-free	0.23900
RMSD bond length	0.019
RMSD bond angle	1.784
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]	47.780	16.000	1.970
High resolution limit [Å]	1.900	4.070	1.900
Rmerge	0.066	0.045	0.547
Number of reflections	14569
<I/σ(I)>	14.2
Completeness [%]	97.6	98.8	92.6
Redundancy	6.7	6.3	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	293	Proline, HEPES, Peg3350, NaCl, pH 7.5, Microbatch, temperature 293K