3CKJ

Crystal Structure of a Mycobacterial Protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793, 0.9794, 0.9641, 1.0
Spacegroup name	P 41 21 2
Unit cell lengths	86.600, 86.600, 104.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.19046
Rwork	0.190
R-free	0.20124
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.568
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	35916
<I/σ(I)>		2.6
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	1.6 M mono-Ammonium dihydrogen phosphate, 0.1 M Sodium citrate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K