7B21

The X183 domain from Cellvibrio japonicus Cbp2D

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 2 21 21
Unit cell lengths	28.509, 55.376, 55.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.356 - 1.200
Rwork	0.112
R-free	0.12790
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	1.945
Data reduction software	Aimless (0.6.2)
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.850	55.850	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.050	0.046	0.088
Rmeas	0.060	0.056	0.105
Rpim	0.033	0.032	0.057
Number of reflections	28435	228	1352
<I/σ(I)>	48.3
Completeness [%]	100.0
Redundancy	6	4.8	6
CC(1/2)	0.997	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES pH 7.5, 20% w/v PEG 4000, 10% w/v propan-2-ol