4PWC

Phl p 4 I153V N158H variant, a glucose oxidase, 3.5 M NaBr soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Detector technology	PIXEL
Collection date	2014-02-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.915345
Spacegroup name	P 61 2 2
Unit cell lengths	117.220, 117.220, 201.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.305 - 2.300
R-factor	0.188
Rwork	0.186
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tsh
RMSD bond length	0.009
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (mr)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.300	2.300
Number of reflections	68911
<I/σ(I)>	1.47	1.47
Completeness [%]	99.9	99.9
Redundancy	21.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	7 mg/mL Protein in 20mM Tris + 70% Tacsimate. Crystals were soaked in 55% Tacsimate 20% Glycerol 3.5 M NaBr before freezing, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K