7R50

Crystal structure of GMP reductase from mycobacterium smegmatis in complex with GMP.

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	2018-12-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	104.788, 105.098, 170.468
Unit cell angles	76.92, 81.86, 69.01

Refinement procedure

Resolution	47.689 - 2.500
R-factor	0.265159235491
Rwork	0.263
R-free	0.30603
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zfj
RMSD bond length	0.023
RMSD bond angle	1.087
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.690	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.136	1.632
Rmeas	0.185	2.220
Rpim	0.124	1.495
Number of reflections	208443	21247
<I/σ(I)>	5.27	0.58
Completeness [%]	90.1	86.46
Redundancy	2.1	2.1
CC(1/2)	0.992	0.293

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.2 M Sodium chloride 20% (v/v) PEG 3000 0.1 M HEPES, pH 7.5