8ET0

Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-19
Detector	PSI PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 41
Unit cell lengths	141.526, 141.526, 90.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.200 - 2.150
R-factor	0.182
Rwork	0.181
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nt1
Data reduction software	XDS
Data scaling software	Aimless (0.5.23)
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	141.530	2.180
High resolution limit [Å]	2.147	2.150
Rmerge	0.106	2.098
Rmeas	0.112	2.225
Rpim	0.037	0.734
Total number of observations	877793	39944
Number of reflections	190724	4570
<I/σ(I)>	13.5	0.9
Completeness [%]	99.7	94.4
Redundancy	9	8.7
CC(1/2)	0.998	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1 M Tris-Cl pH 8.5, 40-75% (+/-)-2-Methyl-2,4-pentanediol