6XXO

Crystal structure of NB8, 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	2017-02-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9677
Spacegroup name	I 2 2 2
Unit cell lengths	55.945, 68.857, 75.647
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.520 - 1.500
R-factor	0.1634
Rwork	0.162
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m7q
RMSD bond length	0.007
RMSD bond angle	0.943
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]	28.520	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.028
Rmeas		0.117
Number of reflections	23283	3733
<I/σ(I)>	28.37
Completeness [%]	97.9
Redundancy	3.9
CC(1/2)	0.999	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M tri-Na Citrate pH 3.5, 3M NaCl