3BZR

Crystal structure of EscU C-terminal domain with N262D mutation, Space group P 41 21 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	50.928, 50.928, 100.293
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.000 - 1.646
R-factor	0.211
Rwork	0.210
R-free	0.24800
RMSD bond length	0.019
RMSD bond angle	1.772
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]	45.410	16.000	1.710
High resolution limit [Å]	1.646	3.540	1.646
Rmerge	0.044	0.030	0.824
Number of reflections	16671
<I/σ(I)>	14.8
Completeness [%]	99.9	99.9	100
Redundancy	14.1	14.3	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	HEPES, Jeffamine ED-2001, NaCl, Tris, pH 6.5, Microbatch, temperature 293K