4UAV

Crystal structure of CbbY (AT3G48420) from Arabidobsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	47.725, 140.041, 87.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.300
R-factor	0.1381
Rwork	0.136
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uar
RMSD bond length	0.023
RMSD bond angle	2.086
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP (10.2.35)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.021	45.174	1.370
High resolution limit [Å]	1.300	4.110	1.300
Rmerge		0.023	0.624
Rmeas	0.058
Rpim	0.029	0.014	0.370
Total number of observations	257575	8464	35885
Number of reflections	70347
<I/σ(I)>	13.2	41.2	2.1
Completeness [%]	97.9	98.5	95.3
Redundancy	3.7	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	25 % (wt/vol) PEG-6000 and 0.1 M Tris-HCl pH 8.5