6YNU

CaM-P458 complex (crystal form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-07
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.966
Spacegroup name	C 2 2 21
Unit cell lengths	73.341, 174.344, 97.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.600 - 3.120
R-factor	0.2486
Rwork	0.246
R-free	0.29070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ctr
RMSD bond length	0.010
RMSD bond angle	1.149
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.600	3.231
High resolution limit [Å]	3.119	3.119
Rmerge	0.055	0.647
Rmeas	0.058	0.684
Number of reflections	11538	1132
<I/σ(I)>	22.97	3.18
Completeness [%]	99.5
Redundancy	9
CC(1/2)	1.000	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		300	0.3 M Ammonium sulfate 30% (w/v) PEG 4000