7KOU

1.83 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	120.928, 62.022, 101.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.800 - 1.830
R-factor	0.1635
Rwork	0.162
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kom
RMSD bond length	0.006
RMSD bond angle	1.364
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.084	0.773
Rmeas	0.093	0.857
Rpim	0.040	0.367
Number of reflections	68046	3378
<I/σ(I)>	19.4	2.2
Completeness [%]	100.0	100
Redundancy	5.4	5.4
CC(1/2)	0.999	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	Protein: 12.5 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3. Screen: JCSG+ (F8), 2.1M DL-Malic acid pH 7.0; Cryo: 25% PEG 400, 1.5M DL-Malic acid pH 7.0