6KZF

Racemic X-ray Structure of Calcicludine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-01
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	I 41
Unit cell lengths	94.600, 94.600, 38.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.710 - 2.520
Rwork	0.239
R-free	0.28210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yv7
Data scaling software	HKL-3000
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.520	2.520
Rmerge	0.159	0.996
Number of reflections	5969	312
<I/σ(I)>	14.6
Completeness [%]	99.9
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Ammonium acetate, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4000