5Q29

PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000058a

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	2017-04-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	51.832, 56.977, 114.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.970 - 1.460
R-factor	0.1713
Rwork	0.169
R-free	0.21690
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5aho
RMSD bond length	0.011
RMSD bond angle	1.347
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]	56.970	56.970	1.500
High resolution limit [Å]	1.460	6.530	1.460
Rmerge	0.066	0.031	1.367
Rmeas	0.072	0.034	1.505
Rpim	0.028	0.014	0.625
Total number of observations	381085	4735	24969
Number of reflections	60026
<I/σ(I)>	11.2	42	1.2
Completeness [%]	100.0	99.9	100
Redundancy	6.3	6	5.7
CC(1/2)	0.999	0.998	0.516

Crystallization Conditions

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