7O1N

Crystal Structure of Human Neuropilin-1 b1 Domain mutant - Y297A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9724
Spacegroup name	P 32 2 1
Unit cell lengths	80.076, 80.076, 62.198
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.350 - 1.560
R-factor	0.1811
Rwork	0.180
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kex
RMSD bond length	0.014
RMSD bond angle	1.965
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.350	46.300	1.590
High resolution limit [Å]	1.560	8.550	1.560
Rmerge	0.019	0.010	0.180
Rmeas	0.026	0.014	0.254
Rpim	0.019	0.010	0.180
Total number of observations		386	3145
Number of reflections	33072	236	1619
<I/σ(I)>	17.6	44.2	3.4
Completeness [%]	100.0	98.9	100
Redundancy	1.9	1.6	1.9
CC(1/2)	0.999	1.000	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Precipitant of 20% PEG4000, 0.1M Tris (pH 8.5), 0.2M Lithium Sulfate. Protein concentration used is 10 mg/mL, mixed 1:1 with precipitant for hanging drop over reservoir of 1 mL.