7P8O

Crystal structure of D-aminoacid transaminase from Haliscomenobacter hydrossis in its intermediate form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	87.636, 72.374, 51.822
Unit cell angles	90.00, 100.05, 90.00

Refinement procedure

Resolution	39.870 - 1.950
R-factor	0.19323
Rwork	0.191
R-free	0.23153
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cm0
RMSD bond length	0.008
RMSD bond angle	1.533
Data reduction software	DIALS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.030	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.048	0.394
Rmeas	0.059	0.476
Rpim	0.033	0.265
Total number of observations	65244	4556
Number of reflections	22696	1541
<I/σ(I)>	10.9	2.3
Completeness [%]	97.5
Redundancy	2.9	3
CC(1/2)	0.998	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	MES 0.1 M pH 6.5; MgSO4; 1.8 M NaCl.