6UMU

Human apo PD-1 triple mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	46.172, 46.172, 89.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.493 - 1.183
R-factor	0.1542
Rwork	0.154
R-free	0.16380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rrq
RMSD bond length	0.009
RMSD bond angle	1.348
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	1.200
High resolution limit [Å]	1.180	3.200	1.180
Rmerge	0.053	0.046	0.509
Rmeas	0.056	0.048	0.557
Rpim	0.017	0.014	0.222
Total number of observations	365601
Number of reflections	36705	2009	1755
<I/σ(I)>	11.9
Completeness [%]	99.8	99.4	98.6
Redundancy	10	10.5	6
CC(1/2)		0.998	0.847

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, 27% w/v PEG5000 MME