7P1Y

A small alarmone hydrolase TdActApo2 mutant - T78N

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-30
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976238
Spacegroup name	P 1 21 1
Unit cell lengths	61.286, 69.189, 132.070
Unit cell angles	90.00, 93.02, 90.00

Refinement procedure

Resolution	61.278 - 2.380
Rwork	0.191
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gni
RMSD bond length	0.009
RMSD bond angle	1.640
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.345	2.470
High resolution limit [Å]	2.380	2.390
Number of reflections	44562	4645
<I/σ(I)>	10.4	1
Completeness [%]	100.0	100
Redundancy	11.7	11.4
CC(1/2)	0.999	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.22 mM TdRel-D78N protein in the buffer of 1 mM MnCl2, 25 mM Tris-HCl pH 8.0, and 200 mM NaCl was mixed 1:1 ratio with the precipitant containing 0.2 M NH4Cl and 20% PEG3350