7LTQ

Crystal Structure of a histidine kinase from Burkholderia ambifaria MC40-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 32 2 1
Unit cell lengths	95.870, 95.870, 205.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.900 - 2.150
R-factor	0.1701
Rwork	0.168
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MR-rosetta starting from pdb entry 6NB0
RMSD bond length	0.006
RMSD bond angle	0.797
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.073	0.026	0.588
Rmeas	0.079	0.028	0.639
Number of reflections	60058	673	4403
<I/σ(I)>	19.11	57.4	3.01
Completeness [%]	99.6	84.9	99.8
Redundancy	6.904	6.155	6.658
CC(1/2)	0.999	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	Hampton Research Crystal Screen HT condition G1: 1.8M ammonium sulfate, 100mM MES monhydrate pH 6.5, 10mM Cobalt (II) chloride: BuamA.00863.e.A1.PS01103 at 28.3mg/ml: tray 223322 g1: cryo: likely 25% EG: puck aog4-2.