4KVV

Crystal structure of an alkylated Cys mutant of CC-Hex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	68
Detector technology	PIXEL
Collection date	2013-02-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92
Spacegroup name	P 41 21 2
Unit cell lengths	56.020, 56.020, 286.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.340 - 1.900
R-factor	0.2048
Rwork	0.203
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.313
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	36.340
High resolution limit [Å]	1.900
Number of reflections	37509
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	0.1 M Tris, 1.5 M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K