5Q1M

PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000740a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Detector technology	PIXEL
Collection date	2016-09-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	51.989, 56.979, 115.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.780 - 1.560
R-factor	0.1457
Rwork	0.144
R-free	0.18350
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5aho
RMSD bond length	0.012
RMSD bond angle	1.428
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.780	28.780	1.600
High resolution limit [Å]	1.560	6.970	1.560
Rmerge	0.061	0.027	0.851
Rmeas	0.067	0.029	0.922
Rpim	0.026	0.012	0.351
Total number of observations	324142	3931	23309
Number of reflections	49352
<I/σ(I)>	16.9	51.3	2.2
Completeness [%]	99.5	98.6	97.2
Redundancy	6.6	6.1	6.7
CC(1/2)	0.999	0.999	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	30% PEG1000, 0.1 M MIB buffer