8GR3

Crystal structure of K151L/Y158F mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	2022-04-27
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 41
Unit cell lengths	93.410, 93.410, 118.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.730 - 2.400
R-factor	0.20858
Rwork	0.207
R-free	0.24129
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7d40
RMSD bond length	0.012
RMSD bond angle	1.615
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.130	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.260
Number of reflections	39690	5761
<I/σ(I)>	8.8
Completeness [%]	100.0
Redundancy	8.6
CC(1/2)	0.974	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		298	0.1M MES pH 6.5, 0.2M Ammonium sulfate, 30% PEG monomethyl ether 5000