5Q1L

PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000073a

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	52.360, 57.450, 114.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.430 - 1.760
R-factor	0.2088
Rwork	0.207
R-free	0.24130
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5aho
RMSD bond length	0.010
RMSD bond angle	1.302
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]	57.430	57.430	1.810
High resolution limit [Å]	1.760	7.870	1.760
Rmerge	0.103	0.036	1.652
Rmeas	0.112	0.039	1.800
Rpim	0.044	0.016	0.708
Total number of observations	229820	2767	16374
Number of reflections	35161
<I/σ(I)>	12	41.2	1.2
Completeness [%]	100.0	99.9	100
Redundancy	6.5	5.8	6.4
CC(1/2)	0.998	0.998	0.452

Crystallization Conditions

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