6UHR

Crystal Structure of C148 mGFP-scDNA-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12710
Spacegroup name	P 21 21 21
Unit cell lengths	50.580, 50.890, 209.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.350 - 3.000
R-factor	0.2304
Rwork	0.226
R-free	0.30890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n9o
RMSD bond length	0.008
RMSD bond angle	1.825
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.595	69.730	3.160
High resolution limit [Å]	3.000	9.490	3.000
Rmerge		0.071	0.716
Rmeas	0.210	0.077	0.774
Rpim	0.078	0.029	0.286
Total number of observations	79211
Number of reflections	11425	442	1631
<I/σ(I)>	8	18.5	2.7
Completeness [%]	99.7	99.8	100
Redundancy	6.9	6.5	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	295	1 microliter C148 mGFP-scDNA-2 (5 mg/mL (protein concentration) in 10 mM Tris Buffer pH 7.4, 137 mM NaCl) + 1 microliter crystallization condition (0.15 M potassium bromide, 30% (w/v) PEG 2000 MME) in a sitting drop with a 70 microliter reservoir (0.15 M potassium bromide, 30% (w/v) PEG 2000 MME)