8AR7

Bovine glutamate dehydrogenase in ternary complex with the allosteric activators ADP and leucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	90.877, 178.705, 123.884
Unit cell angles	90.00, 104.00, 90.00

Refinement procedure

Resolution	120.200 - 2.448
R-factor	0.193
Rwork	0.192
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jcz
RMSD bond length	0.006
RMSD bond angle	0.750
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (8-JUN-2022))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.203	120.203	2.793
High resolution limit [Å]	2.448	7.931	2.448
Rmerge	0.198	0.077	1.211
Rmeas	0.220	0.087	1.333
Rpim	0.095	0.038	0.551
Total number of observations	445692	20397	23757
Number of reflections	82997	4150	4151
<I/σ(I)>	6.82	16.1	1.78
Completeness [%]	92.0	97.9	60.9
Completeness (spherical) [%]	59.0	97.9	9.1
Completeness (ellipsoidal) [%]	92.0	97.9	60.9
Redundancy	5.37	4.91	5.72
CC(1/2)	0.989	0.992	0.407
Anomalous completeness (spherical)	58.3	97.0	8.9
Anomalous completeness	91.4	97.0	61.0
Anomalous redundancy	2.7	2.6	2.9
CC(ano)	-0.026	0.053	-0.081
|DANO|/σ(DANO)	0.8	0.7	0.8

Diffraction limits	Principal axes of ellipsoid fitted to diffraction cut-off surface
3.035 Å	0.948, 0.948, 0.948
3.121 Å	0.000, 0.000, 0.000
2.448 Å	-0.318, -0.318, -0.318
Criteria used in determination of diffraction limits	local <I/sigmaI> ≥ 1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	20% EtOH, 30% 2-methyl-2,4-pentanediol (MPD)