3EKE

Crystal structure of IBV X-domain at pH 5.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-27
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	78.200, 78.200, 81.701
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.730 - 2.100
R-factor	0.201
Rwork	0.199
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.896
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC (5.3.0037)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.730	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.079	0.401
Number of reflections	17123
<I/σ(I)>	6.341	1.9
Completeness [%]	98.4	89.4
Redundancy	11.5	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	285.15	0.8 M AMMONIUM SULFATE, 0.1 M NA-CITRATE PH 5.6, 0.2 M K-,NA-TARTRATE, TEMPERATURE 285.15 K