5WHZ

PGDM1400-10E8v4 CODV Fab

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	2017-03-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.078
Spacegroup name	P 65 2 2
Unit cell lengths	151.226, 151.226, 200.595
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.552 - 3.549
R-factor	0.2417
Rwork	0.239
R-free	0.28670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iq9 4rqq
RMSD bond length	0.002
RMSD bond angle	0.553
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.552	3.740
High resolution limit [Å]	3.549	3.550
Rmerge	0.151	3.236
Rpim	0.035	0.770
Number of reflections	17034
<I/σ(I)>	14.7	1
Completeness [%]	100.0	100
Redundancy	10.3	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	1.68M ammonium sulfate 0.1M sodium cacodylate