1HKV

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	2002-11-15
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	111.452, 111.452, 238.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 2.600
R-factor	0.227
Rwork	0.224
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hkw
RMSD bond length	0.030
RMSD bond angle	1.657 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000 *	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.081	0.405
Total number of observations	276375 *
Number of reflections	44373	3160 *
<I/σ(I)>	14.6	3.1
Completeness [%]	99.8	94
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	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). THESE CRYSTALS WERE SOAKED FOR 3 HRS IN IN MOTHER LIQUOR CONTAINING 0.2 MM PLP. THE CRYSTALS ARE DISTINCTLY YELLOW., pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	DAP	5 (mM)
2	1	reservoir	PLP	0.2 (mM)
3	1	drop	protein	10 (mg/ml)