6PQL

SBP RafE in complex with raffinose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	P 1 21 1
Unit cell lengths	48.862, 145.823, 118.677
Unit cell angles	90.00, 92.64, 90.00

Refinement procedure

Resolution	29.660 - 2.650
R-factor	0.2498
Rwork	0.248
R-free	0.29330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6prg
RMSD bond length	0.002
RMSD bond angle	0.658
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.142	0.565
Rpim	0.083	0.369
Number of reflections	47919	4257
<I/σ(I)>	11
Completeness [%]	100.0
Redundancy	4
CC(1/2)	0.987	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	0.2M CsCl, 0.1M Tris, 20% w/v PEG 3350