6JP9

Crsytal structure of a XMP complexed ATPPase subunit of M. jannaschii GMP synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-10-23
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	82.180, 100.430, 157.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.530 - 2.100
R-factor	0.22372
Rwork	0.221
R-free	0.27316
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dpl
RMSD bond length	0.016
RMSD bond angle	1.822
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.530	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	76858	4500
<I/σ(I)>	8.9	1.7
Completeness [%]	100.0	100
Redundancy	7.6	7.5
CC(1/2)	0.989	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	294.15	2 micro liters of 18 mg/ml protein solution containing 1 mM XMP, 1 mM PPi, 20 mM MgCl2 was mixed with an equal volume of crystallization condition containing 20 % (w/v) PEG 1500 and 0.1 M MIB buffer pH 5.5