7PMZ

Crystal structure of Streptomyces coelicolor guaB (IMP dehydrogenase) bound to ATP and ppGpp at 2.0 A resolution

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999871222252
Spacegroup name	P 1 21 1
Unit cell lengths	119.294, 300.896, 123.093
Unit cell angles	90.00, 90.28, 90.00

Refinement procedure

Resolution	85.880 - 2.030
R-factor	0.1814
Rwork	0.180
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4avf
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	150.450	2.150
High resolution limit [Å]	2.030	2.030
Rmerge	0.100	0.991
Rmeas	0.110	1.157
Rpim	0.055	0.528
Number of reflections	474239	23712
<I/σ(I)>	9.4	1.5
Completeness [%]	94.2	58.1
Redundancy	4.6	4.5
CC(1/2)	0.998	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	condition H9 of the commercial screening Morpheus-II: 0.01M Spermine tetrahydrochloride, 0.01M Spermidine trihydrochloride, 0.01M 1,4- Diaminobutane dihydrochloride, 0.01M DL- Ornithine monohydrochloride, 15% w/v PEG 3000, 20% v/v 1, 2, 4- Butanetriol, 1% w/v NDSB 256 0.1M of the buffer system Gly-Gly, AMPD, pH 8.5