3NDN

Crystal structure of O-succinylhomoserine sulfhydrylase from Mycobacterium tuberculosis covalently bound to pyridoxal-5-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	81.950, 129.560, 95.960
Unit cell angles	90.00, 115.35, 90.00

Refinement procedure

Resolution	19.700 - 1.850
R-factor	0.189
Rwork	0.187
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y4i
RMSD bond length	0.014
RMSD bond angle	1.322
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.062	0.027	0.529
Number of reflections	153275	1648	11304
<I/σ(I)>	13.56	33.5	2.5
Completeness [%]	99.4	91.7	99.6
Redundancy	4.4		4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	26.9 mg/mL protein against JCSG+ condition A2, 25% PEG 3000, 0.1 M citrate pH 5.5, crystal tracking ID 215797a2, VAPOR DIFFUSION, SITTING DROP, temperature 289K