3BZS

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

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 21 21 21
Unit cell lengths	31.371, 48.349, 60.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.800 - 1.480
R-factor	0.216
Rwork	0.215
R-free	0.23400
RMSD bond length	0.015
RMSD bond angle	1.685
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	1.530
High resolution limit [Å]	1.480	3.190	1.480
Rmerge	0.053	0.045	0.567
Number of reflections	14461
<I/σ(I)>	14.3
Completeness [%]	90.3	76.6	82.7
Redundancy	9.7	9.4	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	PEG 3350, NaCl, Bis-Tris, pH 6.5, Microbatch, temperature 293K