6NP9

PD-L1 IgV domain V76T with 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	2016-08-16
Detector	MAR CCD 165 mm
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	53.331, 54.111, 85.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.427 - 1.270
R-factor	0.204
Rwork	0.202
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bik
RMSD bond length	0.006
RMSD bond angle	0.895
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.055	0.288
Rpim	0.018	0.112
Number of reflections	32928	1604
<I/σ(I)>	61	7.1
Completeness [%]	99.6	99.8
Redundancy	9.2	7.1
CC(1/2)		0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	Ammonium Sulfate