6DMA

DHD15_closed

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999972
Spacegroup name	P 32
Unit cell lengths	57.615, 57.615, 130.861
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.676 - 3.363
R-factor	0.2962
Rwork	0.292
R-free	0.33320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computational design model
RMSD bond length	0.002
RMSD bond angle	0.359
Data reduction software	HKL-2000 (715)
Data scaling software	HKL-2000 (715)
Phasing software	PHASER
Refinement software	PHENIX ((dev_3084: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.410
High resolution limit [Å]	3.350	3.350
Rmerge	0.131	1.745
Rmeas	0.142	1.892
Rpim	0.053	0.721
Number of reflections	6816	338
<I/σ(I)>	13.82	0.88
Completeness [%]	98.4	96
Redundancy	6.5	6.2
CC(1/2)		0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290.15	0.1M imidazole pH 7.0, 25% (v/v) PEG 550 MME