5Q1Z

PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000150a

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	2017-04-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	52.098, 56.829, 115.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.820 - 1.410
R-factor	0.1757
Rwork	0.173
R-free	0.22050
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5aho
RMSD bond length	0.011
RMSD bond angle	1.343
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.820	56.820	1.450
High resolution limit [Å]	1.410	6.310	1.410
Rmerge	0.095	0.073	1.537
Rmeas	0.104	0.079	1.709
Rpim	0.041	0.032	0.741
Total number of observations	415738	5231	25839
Number of reflections	66787
<I/σ(I)>	8.3	21	1.3
Completeness [%]	100.0	99.9	99.9
Redundancy	6.2	6	5.3
CC(1/2)	0.996	0.992	0.532

Crystallization Conditions

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