7QFC

Crystal structure of cytotoxin 13 from Naja naja, orthorhombic form

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-14
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	88.759, 97.175, 131.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.890 - 2.600
Rwork	0.205
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rl5
RMSD bond length	0.013
RMSD bond angle	2.191
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.630
High resolution limit [Å]	2.600	2.600
Number of reflections	18995	1199
<I/σ(I)>	1.8
Completeness [%]	99.2	99.6
Redundancy	6.3
CC(1/2)		0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	NaCl, sodium dihydrogen phosphate, 0.1M MES pH 5.5