5YPU

Crystal structure of an actin monomer in complex with the nucleator Cordon-Bleu MET72NLE WH2-motif peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	174.861, 40.832, 109.000
Unit cell angles	90.00, 101.76, 90.00

Refinement procedure

Resolution	29.820 - 2.000
R-factor	0.1954
Rwork	0.193
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jhd
RMSD bond length	0.010
RMSD bond angle	1.395
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.820	30.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.088	0.030	0.529
Rmeas	0.103	0.036	0.639
Rpim	0.054	0.019	0.353
Number of reflections	51425	2737	2517
<I/σ(I)>	7.1
Completeness [%]	99.5	99.9	97.4
Redundancy	3.6	3.6	3.1
CC(1/2)		0.998	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	298.15	20mM MES pH 4.9, 0.2mM CaCl2,2H2O, 20%(w/v) PEG 3,350