7CQH

Complex of TRP_CBS2 and Calmodulin_Clobe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97890
Spacegroup name	I 41
Unit cell lengths	58.344, 58.344, 92.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.300 - 2.150
R-factor	0.2158
Rwork	0.214
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1up5
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.050	0.045	0.368
Rmeas	0.052	0.047	0.388
Rpim	0.014	0.013	0.119
Total number of observations	105408
Number of reflections	8342	441	369
<I/σ(I)>	7.3
Completeness [%]	99.1	99.8	88.5
Redundancy	12.6	12.8	9.1
CC(1/2)		0.998	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	11.4% w/v Polyethyleneglycol 20000, 150mM Sodium acetate, 7% v/v Ethyleneglycol, pH 4.5