6UMV

Human apo PD-1 double mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	46.199, 46.199, 89.407
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.520 - 1.424
R-factor	0.1633
Rwork	0.161
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rrq
RMSD bond length	0.016
RMSD bond angle	1.636
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.440
High resolution limit [Å]	1.420	3.850	1.420
Rmerge	0.094	0.069	0.783
Rmeas	0.100	0.074	0.873
Rpim	0.034	0.027	0.382
Total number of observations	162777
Number of reflections	21337	1187	1034
<I/σ(I)>	11.2
Completeness [%]	99.7	99.7	97.5
Redundancy	7.6	8.1	3.6
CC(1/2)		0.995	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM sodium chloride, 100 mM Tris-HCl, pH 8.0, 36% w/v PEG3350