6CYZ

Mycobacterial homoserine kinase ThrB in complex with AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	57.350, 62.700, 84.630
Unit cell angles	90.00, 104.40, 90.00

Refinement procedure

Resolution	81.971 - 2.040
R-factor	0.1989
Rwork	0.197
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wat
RMSD bond length	0.004
RMSD bond angle	0.780
Data reduction software	XDS (VERSION Jan 26, 2018 BUILT=20180319)
Data scaling software	XSCALE (VERSION Jan 26, 2018 BUILT=20180319)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.13rc2_2975)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.971	81.971	2.090
High resolution limit [Å]	2.040	9.120	2.040
Rmerge	0.140	0.025	1.130
Rmeas	0.164	0.029	1.355
Total number of observations	137127
Number of reflections	36994	444	2617
<I/σ(I)>	9.5	37.7	1.08
Completeness [%]	99.2	98.2	95.8
Redundancy	3.707	3.45	3.206
CC(1/2)	0.994	0.999	0.409

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	0.6 M sodium chloride, 0.1 M MES, pH 6.5, 20% PEG4000