5LAG

Room temperature X-ray diffraction of tetragonal HEWL with 1M of uridine. Second data set (0.62 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	79.143, 79.143, 37.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.570 - 1.600
R-factor	0.14465
Rwork	0.143
R-free	0.17268
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1bwh
RMSD bond length	0.025
RMSD bond angle	2.302
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.570	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.035	0.254
Number of reflections	16396
<I/σ(I)>	27.9	6.8
Completeness [%]	99.8	99.8
Redundancy	6.4	6.7
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: 200 mM NaAcetate + 10% NaCl