6NOS

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	2016-11-28
Detector	RAYONIX MX-300
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	84.014, 97.401, 33.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.421 - 2.701
R-factor	0.1944
Rwork	0.185
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i8l
RMSD bond length	0.010
RMSD bond angle	1.415
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.129	0.469
Rmeas	0.146	0.566
Rpim	0.066	0.309
Number of reflections	7548	354
<I/σ(I)>	7.2
Completeness [%]	94.2	89.6
Redundancy	4.1	2.6
CC(1/2)	0.079

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	0.056 M sodium phosphate monobasic, 1.344 M potassium phosphate dibasic