6SD8

Bd2924 apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97622
Spacegroup name	C 1 2 1
Unit cell lengths	137.750, 113.012, 89.044
Unit cell angles	90.00, 120.84, 90.00

Refinement procedure

Resolution	76.454 - 1.510
R-factor	0.1749
Rwork	0.174
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.141
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.710	81.710	1.550
High resolution limit [Å]	1.510	6.750	1.510
Rmerge	0.051	0.042	1.262
Rmeas	0.055	0.046	1.376
Rpim	0.021	0.018	0.541
Total number of observations	1198412	14171	81267
Number of reflections	177144	2112	12789
<I/σ(I)>	11.9	38.7	1.2
Completeness [%]	97.0	99.8	94.9
Redundancy	6.8	6.7	6.4
CC(1/2)	0.998	0.995	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	40% pentaerythritol propoxylate 15% ethanol