6ASV

E. coli PRPP Synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	104.757, 138.436, 137.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.210
R-factor	0.1789
Rwork	0.177
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dah
RMSD bond length	0.005
RMSD bond angle	1.013
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.260
High resolution limit [Å]	2.210	6.020	2.210
Rmerge	0.067	0.034	0.526
Rmeas	0.075	0.038	0.595
Rpim	0.033	0.017	0.272
Number of reflections	49727	2649	2349
<I/σ(I)>	6.8
Completeness [%]	99.3	99.1	95.1
Redundancy	4.7	4.7	4.4
CC(1/2)		0.999	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Magnesium Chloride 0.1 M Hepes, pH 7.5 30% w/v PEG 400 1 mM ADP