7D96

Crystal structure of D110G 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	2017-11-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	36.180, 66.650, 79.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.990 - 2.290
R-factor	0.2141
Rwork	0.210
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7d40
RMSD bond length	0.009
RMSD bond angle	1.605
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.990	2.410
High resolution limit [Å]	2.290	2.290
Number of reflections	8066	1258
<I/σ(I)>	4.02
Completeness [%]	89.3
Redundancy	4.7
CC(1/2)	0.970	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.6	277	100 mM Sodium acetate, pH 5.6, 10 % PEG 6000