4XRF

Crystal structure of MepR like protein complexed with pseudoligands

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-08
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97958
Spacegroup name	P 62 2 2
Unit cell lengths	111.172, 111.172, 67.368
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.720 - 2.160
R-factor	0.2144
Rwork	0.213
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.780
Data reduction software	SCALEPACK
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.200
High resolution limit [Å]	2.160	5.860	2.160
Rmerge	0.094	0.056	0.337
Total number of observations	277710
Number of reflections	13502
<I/σ(I)>	16.8
Completeness [%]	99.1	86.5	98.9
Redundancy	20.6	15.9	18.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	0.1M phosphate citrate, 2.4 M ammonium sulfate