5Q1T

PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000492a

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	52.420, 57.310, 115.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.620 - 1.490
R-factor	0.1562
Rwork	0.154
R-free	0.19370
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5aho
RMSD bond length	0.013
RMSD bond angle	1.426
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]	40.620	40.620	1.530
High resolution limit [Å]	1.490	6.660	1.490
Rmerge	0.059	0.026	1.374
Rmeas	0.064	0.028	1.497
Rpim	0.025	0.011	0.589
Total number of observations	378534	4478	26607
Number of reflections	57540
<I/σ(I)>	15.6	55.8	1.4
Completeness [%]	100.0	99.5	100
Redundancy	6.6	6	6.4
CC(1/2)	0.999	0.999	0.539

Crystallization Conditions

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