5K98

Structure of HipA-HipB-O2-O3 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	214.036, 146.830, 53.751
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	121.078 - 3.990
R-factor	0.352
Rwork	0.350
R-free	0.37500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.457
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall
Low resolution limit [Å]	121.078
High resolution limit [Å]	3.990
Number of reflections	14049
<I/σ(I)>	5
Completeness [%]	92.2
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	1.3 M ammonium sulfate, 0.1 M citrate pH 5.6