7OY9

Crystal structure of GMP reductase from mycobacterium smegmatis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	253.060, 109.830, 200.820
Unit cell angles	90.00, 119.43, 90.00

Refinement procedure

Resolution	43.727 - 2.800
R-factor	0.236369725587
Rwork	0.234
R-free	0.27495
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zfj
RMSD bond length	0.010
RMSD bond angle	1.221
Data reduction software	XDS (February 5, 2021)
Data scaling software	XSCALE (February 5, 2021)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.730	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.155	3.968
Rmeas	0.158	4.018
Rpim	0.025	0.626
Number of reflections	118145	11722
<I/σ(I)>	17.77	1.07
Completeness [%]	99.9	99.94
Redundancy	39.7	40.9
CC(1/2)	1.000	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.03 M Magnesium chloride 0.03 M Calcium chloride 20% (v/v) Ethylene glycol 10.0% (v/v) PEG 8000 0.1 M Tris/BICINE, pH 8.5