5L9J

Room temperature X-ray diffraction of tetragonal HEWL. First data set (0.31 MGy)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	298
Detector technology	PIXEL
Collection date	2015-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979268
Spacegroup name	P 43 21 2
Unit cell lengths	79.244, 79.244, 37.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.11341
Rwork	0.111
R-free	0.16196
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1bwh
RMSD bond length	0.028
RMSD bond angle	2.317
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.620	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.063	0.217
Number of reflections	19825
<I/σ(I)>	19.3	6.3
Completeness [%]	99.7	98.6
Redundancy	5.8	4.8
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	291	Protein: 40-80 mg/ml of protein in 200mM NaAcetate pH 4.7 Crystallization condition: 200mM NaAcetate pH 4.7, 10% NaCl