8Z17

Crystal structure of DiatB mutant R360A

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	P 61 2 2
Unit cell lengths	66.340, 66.340, 372.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.199 - 2.430
R-factor	0.2283
Rwork	0.224
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.576
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.290	2.490
High resolution limit [Å]	2.430	2.430
Rmerge	0.303	2.668
Rmeas	0.308	2.705
Rpim	0.053	0.441
Number of reflections	19664	1384
<I/σ(I)>	9.6	2
Completeness [%]	100.0	99.9
Redundancy	34.8	36.8
CC(1/2)	0.990	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Sodium sulfate, 0.1 M Bis Tris propane pH 6.5 and 20% (w/v) PEG 3350