6WN8

2.70 Angstrom Resolution Crystal Structure of Uracil Phosphoribosyl Transferase from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 31 2 1
Unit cell lengths	203.349, 203.349, 157.775
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.710 - 2.700
R-factor	0.1903
Rwork	0.189
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ehj
RMSD bond length	0.002
RMSD bond angle	1.167
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	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.090	0.790
Rmeas	0.098	0.857
Rpim	0.038	0.332
Number of reflections	103165	5133
<I/σ(I)>	20.3	2.4
Completeness [%]	100.0	100
Redundancy	6.6	6.7
CC(1/2)		0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	292	Protein: 10.8 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen (AmSO4, H2): 0.1M Sodium acetate pH 4.6, 2.0M Ammonium sulfate; Cryo: 25% Sucrose, 2.0M Ammonium sulfate