5LA8

Room temperature X-ray diffraction of tetragonal HEWL. Third data set (0.93 MGy)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.984001
Spacegroup name	P 43 21 2
Unit cell lengths	79.307, 79.307, 37.863
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.650 - 2.000
R-factor	0.1363
Rwork	0.133
R-free	0.20047
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1bwh
RMSD bond length	0.021
RMSD bond angle	1.991
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.650	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.046	0.258
Number of reflections	8621
<I/σ(I)>	27	8
Completeness [%]	100.0	100
Redundancy	6.3	6.5
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	291	protein: 50 mg/ml of HEWL in mQ crystallization solution: 200mM NaAcetate pH 4.7 + 10% NaCl