6XXN

Crystal structure of NB7, a nanobody targeting prostate specific membrane antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	53.563, 171.716, 83.479
Unit cell angles	90.00, 91.81, 90.00

Refinement procedure

Resolution	47.200 - 2.650
R-factor	0.1844
Rwork	0.182
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m7q
RMSD bond length	0.012
RMSD bond angle	1.645
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.770
High resolution limit [Å]	2.650	2.650
Rpim	0.067
Number of reflections	45149	7226
<I/σ(I)>	8.49
Completeness [%]	98.9
Redundancy	4.5
CC(1/2)	0.993	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.7M (NH4)2SO4, 6.57% 2-Propanol