7BK7

PfCopC mutant - D83N

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-07
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.87313
Spacegroup name	I 41
Unit cell lengths	80.300, 80.300, 89.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.266 - 2.300
Rwork	0.208
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nfq
RMSD bond length	0.007
RMSD bond angle	1.561
Data reduction software	XDS (VERSION Jan 31, 2020)
Data scaling software	XSCALE (VERSION Jan 31, 2020)
Phasing software	MOLREP (Vers 11.6.03; 30.04.2018)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.300	2.300
Rmeas	0.102	1.962
Number of reflections	12725	1884
<I/σ(I)>	10.52
Completeness [%]	99.8
Redundancy	5.64
CC(1/2)	0.998	0.457

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	2.9 M ammonium sulphate, 0.1 M sodium acetate