3BZZ

Crystal structural of the mutated R313T EscU/SpaS C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	31.297, 48.606, 62.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.350 - 1.407
R-factor	0.182
Rwork	0.180
R-free	0.21900
RMSD bond length	0.014
RMSD bond angle	1.414
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	1.460
High resolution limit [Å]	1.407	3.040	1.407
Rmerge	0.065	0.040	0.378
Number of reflections	18717
<I/σ(I)>	10.6
Completeness [%]	97.6	96.3	83.3
Redundancy	6.9	7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	(NH4)2SO4, Bis-Tris, Pentaerythriol Ethoxylate, NaCl, pH 6.5, Microbatch, temperature 293K