7B4P

A Bacteroidetes bacterium CuZn-superoxide dismutase with CuZn metalation

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	41.790, 109.593, 122.598
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.700 - 2.700
Rwork	0.240
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b4o
RMSD bond length	0.002
RMSD bond angle	1.213
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.710	2.830
High resolution limit [Å]	2.700	2.700
Number of reflections	16195	2093
<I/σ(I)>	10.6
Completeness [%]	100.0
Redundancy	9.2
CC(1/2)	0.999	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	.12 M alcohol mix containing 1,6-hexanediol, 1-butanol 1,2-propanediol, 2-propanol, 4-butanediol, 1,3-propanediol; 0.1 M buffer mix containing sodium 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, 3-(N-morpholino)propane sulfonic acid pH 7.5; 37.5 % precipitant mix containing 2-Methyl-2,4-pentanediol, polyethylene glycol 1000, polyethylene glycol 3350