7PJO

Crystal form 3 of CPR-C4: a cysteine protease from the Candidate Phyla Radiation

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	44.780, 77.545, 161.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.260 - 2.248
Rwork	0.179
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ob6
RMSD bond length	0.008
RMSD bond angle	1.442
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.302	44.260	2.320
High resolution limit [Å]	2.248	8.990	2.250
Rmerge	0.085	0.033	1.770
Rmeas	0.092	0.035	1.998
Rpim	0.035	0.013	0.905
Number of reflections	27119	5727	16676
<I/σ(I)>	17.1
Completeness [%]	98.1
Redundancy	12.4	11.4	8.1
CC(1/2)	0.999	0.999	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	Lithium sulfate, Tris, PEG4000