7PUD

Bryoporin - actinoporin from moss Physcomitrium patens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	37.918, 54.497, 81.967
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.410 - 1.250
R-factor	0.2103
Rwork	0.209
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vwi
RMSD bond length	0.006
RMSD bond angle	0.946
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (1.18.2_3874)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.410	1.295
High resolution limit [Å]	1.250	1.251
Rmerge	0.047	0.417
Rmeas	0.052	0.465
Rpim	0.022	0.202
Number of reflections	45262	3873
<I/σ(I)>	21.01	3.6
Completeness [%]	94.8	82.39
Redundancy	6	4.9
CC(1/2)	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	ammonium sulphate, NaCl