7X4D

Crystal structure of chlorotoxin mutant - Y29K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	22.393, 25.941, 47.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.656 - 1.550
Rwork	0.138
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7x41
RMSD bond length	0.010
RMSD bond angle	1.476
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	HKL-2000 (2.3.10)
Phasing software	HKL-3000 (2.3.10)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.058	0.139
Number of reflections	4274	400
<I/σ(I)>	22.9
Completeness [%]	98.3
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1 M monosodium phosphate and 0.75 M sodium citrate