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MYCOBACTERIUM DIAMINOPIMELATE DICARBOXYLASE (LysA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	120
Detector technology	CCD
Collection date	2002-06-15
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	111.560, 111.560, 237.673
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.800
R-factor	0.195
Rwork	0.193
R-free	0.24700 *
Structure solution method	MAD
RMSD bond length	0.030
RMSD bond angle	1.699
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.028	0.136
Total number of observations	813664 *
Number of reflections	35928 *	2637 *
<I/σ(I)>	28.2	7.5
Completeness [%]	99.9	99.8
Redundancy	22.6	22

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3 *	18 *	4 UL HANGING DROPS (2 UL OF DAPDC 10 MG/ML CONTAINING 5MM OF LYSINE COMBINED WITH 2 UL OF WELL SOLUTION) WERE EQUILIBRATED AGAINST 500 UL OF WELL SOLUTION (24% PEG-MME 5K, 0.1M MES BUFFER PH6.3 AND 60 MM AMMONIUM SULFATE), pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	lysine	5 (mM)
3	1	reservoir	PEG5000 MME	24 (%)
4	1	reservoir	MES	0.1 (M)	pH6.3
5	1	reservoir	ammonium sulfate	60 (mM)