6NM7

PD-L1 IgV domain bound to fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	82.911, 94.921, 32.155
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.155 - 2.426
R-factor	0.2056
Rwork	0.202
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6np9
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.470
High resolution limit [Å]	2.426	6.590	2.430
Rmerge	0.135	0.043	0.878
Rmeas	0.145	0.047	0.942
Rpim	0.052	0.018	0.339
Number of reflections	10155	584	511
<I/σ(I)>	5.6
Completeness [%]	100.0	99.3	100
Redundancy	7.7	6.7	7.7
CC(1/2)		0.999	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.056 M NaH2PO4, 1.344 M K2HPO4