4NLE

Crystal structure of apo Adenylosuccinate Lyase from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	P 21 21 2
Unit cell lengths	74.600, 176.830, 73.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.860 - 2.160
R-factor	0.20642
Rwork	0.205
R-free	0.23829
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vd6
RMSD bond length	0.004
RMSD bond angle	0.759
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.860	2.280
High resolution limit [Å]	2.160	2.160
Rmerge	0.083	0.270
Number of reflections	49552
<I/σ(I)>	11.3	14.2
Redundancy	4.85	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Under Oil, Microbatch Method	7.5	291	0.1M Na HEPES pH 7.5, 1.4M sodium citrate, 0.1M betaine hydrochloride, Under Oil, Microbatch Method, temperature 291.0K