5EB2

Trp-bound YfiR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 43 21 2
Unit cell lengths	120.875, 120.875, 88.457
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.535 - 2.709
R-factor	0.1965
Rwork	0.195
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yn7
RMSD bond length	0.008
RMSD bond angle	1.048
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.117	0.071	0.584
Total number of observations	527498
Number of reflections	18400
<I/σ(I)>	9.8
Completeness [%]	99.9	98.8	100
Redundancy	28.7	24.8	29.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.2 M NaCl, 0.1 M BIS-TRIS, 25%(w/v) polyethylene glycol 3350