6Z6Z

Crystal structure of an Anticalin directed towards colchicine without ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91840
Spacegroup name	I 2 2 2
Unit cell lengths	38.557, 75.579, 116.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.340 - 1.780
R-factor	0.2036
Rwork	0.201
R-free	0.25850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nkn
RMSD bond length	0.007
RMSD bond angle	1.375
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.343	63.343	1.880
High resolution limit [Å]	1.779	5.630	1.780
Rmerge		0.035	0.418
Rmeas	0.064	0.036	0.438
Rpim	0.019	0.011	0.129
Total number of observations	175641	5922	26816
Number of reflections	16656	586	2397
<I/σ(I)>	17.6	45.2	4.9
Completeness [%]	99.6	99	99.8
Redundancy	10.5	10.1	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 3350, calcium chloride