4RV4

2.65 Angstrom Resolution Crystal Structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' in complex with 5-phospho-alpha-D-ribosyl diphosphate (PRPP)

Replaces:  3OSC

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	2010-08-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 4 2 2
Unit cell lengths	133.268, 133.268, 151.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.540 - 2.650
R-factor	0.19814
Rwork	0.196
R-free	0.24181
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 3M3H
RMSD bond length	0.011
RMSD bond angle	1.645
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.066	0.490
Number of reflections	18197
<I/σ(I)>	20.82	4.3
Completeness [%]	90.0	97.7
Redundancy	6.6	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	295	7 MG/ML PROTEIN IN 10 MM TRIS/HCL PH 8.0, 500 MM NACL, 5 MM BME, 10 MM 5-PHOSPHO-ALPHA-D-RIBOSYL DIPHOSPHATE (PRPP). CRYSTALS GREW FROM 0.1 M MIB BUFFER PH 4.0, 25% (W/V) PEG1500 (THE PACT SUITE CONDITION #13), VAPOR DIFFUSION, SITTING DROP, temperature 295K