1Q9J

Structure of polyketide synthase associated protein 5 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-25
Detector	MARRESEARCH
Wavelength(s)	0.9798
Spacegroup name	P 31 2 1
Unit cell lengths	172.982, 172.982, 80.535
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.750
R-factor	0.2361
Rwork	0.236
R-free	0.29500
Structure solution method	SIRAS
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.075	0.524
Number of reflections	34892
<I/σ(I)>	12.6	2
Completeness [%]	97.0	86.3
Redundancy	4.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	5-10% PEG 4000, 0.2M Ammonium Acetate, 5% Glycerol, 0.02M DTT, 0.1M Sodium Citrate pH 5, pH 5., VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5	291	5-10% PEG 4000, 0.2M Ammonium Acetate, 5% Glycerol, 0.02M DTT, 0.1M Sodium Citrate pH 5, pH 5., VAPOR DIFFUSION, HANGING DROP, temperature 291K