6DZS

Mycobacterial homoserine dehydrogenase ThrA in complex with NADP

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	2017-06-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	93.800, 110.320, 97.530
Unit cell angles	90.00, 91.83, 90.00

Refinement procedure

Resolution	44.583 - 2.620
R-factor	0.2082
Rwork	0.206
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mtj
RMSD bond length	0.003
RMSD bond angle	0.534
Data reduction software	XDS (VERSION Nov 1, 2016 BUILT=20170215)
Data scaling software	XSCALE (VERSION Nov 1, 2016 BUILT=20170215)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (dev_3139)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.583	44.583	2.690
High resolution limit [Å]	2.620	11.720	2.620
Rmerge	0.105	0.024	1.428
Rmeas	0.118	0.027	1.596
Number of reflections	59735	699	4382
<I/σ(I)>	13.55	44.76	1.27
Completeness [%]	99.9	98	100
Redundancy	5.101	4.763	5.119
CC(1/2)	0.998	0.999	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	0.1 M HEPES, pH 7.0, 1.0 M lithium chloride, 20% PEG6000