6A28

Crystal structure of PprA W183R mutant form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97965
Spacegroup name	C 2 2 21
Unit cell lengths	58.226, 79.293, 264.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.108 - 2.193
R-factor	0.1921
Rwork	0.190
R-free	0.23520
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6a29
RMSD bond length	0.008
RMSD bond angle	1.085
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.900	2.240
High resolution limit [Å]	2.193	2.200
Rmerge	0.096	0.513
Number of reflections	30255	1496
<I/σ(I)>	36.9	3.6
Completeness [%]	94.8	92.3
Redundancy	11.1	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris buffer (pH 8.5) containing 0.2 M LiSO4 and 30% PEG4000