6RTI

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 41 21 2
Unit cell lengths	121.096, 121.096, 216.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.660 - 2.200
R-factor	0.195
Rwork	0.192
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oot
RMSD bond length	0.007
RMSD bond angle	1.636
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	105.660	105.660	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.164	0.046	0.985
Rmeas	0.172	0.050	1.026
Rpim	0.048	0.016	0.284
Number of reflections	82266	4499	4051
<I/σ(I)>	10.1	31.4	2
Completeness [%]	100.0	100	100
Redundancy	12.6	11.9	12.9
CC(1/2)	0.838	0.734	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.2 Mg Acet, 40% (v/v) MPD, 1 mM 2-PMPA