3W57

Structure of a C2 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-10-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	43.803, 52.751, 49.055
Unit cell angles	90.00, 107.15, 90.00

Refinement procedure

Resolution	20.014 - 1.662
R-factor	0.1605
Rwork	0.159
R-free	0.18190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nsj
RMSD bond length	0.007
RMSD bond angle	1.117
Data scaling software	SCALA (3.3.16)
Refinement software	PHENIX (dev_818)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.873	20.014	1.750
High resolution limit [Å]	1.662	5.260	1.660
Rmerge		0.028	0.267
Rmeas		0.032	0.310
Rpim		0.015	0.153
Total number of observations		3592	13062
Number of reflections	24949
<I/σ(I)>	19.8	39.3	5.2
Completeness [%]	98.6	98.2	90.9
Redundancy	4.3	4.3	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100mM Tris-HCl, 200mM CaCl2, 20% PEG 3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K