5JI2

HslU L199Q in HslUV complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97920
Spacegroup name	P 3 2 1
Unit cell lengths	170.005, 170.005, 163.385
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.076 - 3.307
R-factor	0.2385
Rwork	0.236
R-free	0.28110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g4a
RMSD bond length	0.003
RMSD bond angle	0.542
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.142	0.038	1.509
Rmeas	0.149
Rpim	0.045
Total number of observations	450056
Number of reflections	41171
<I/σ(I)>	6.2
Completeness [%]	100.0	100	100
Redundancy	10.9	10	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.1 M Bis-Tris pH 5.5, 1.8 M Ammonium Sulfate, 7.5 mg/ml HslU(L199Q), 9.7 mg/ml HslV, 5 mM ATP, 0.5 mg/ml Arc-st11-ssrA (synthetic peptide substrate)