1C3U

T. MARITIMA ADENYLOSUCCINATE LYASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02-21
Detector	ADSC QUANTUM 4
Spacegroup name	C 2 2 21
Unit cell lengths	120.498, 126.213, 169.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
Rwork	0.199
R-free	0.23000
RMSD bond length	0.012 *
RMSD bond angle	2.840 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.040	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.085	0.263
Number of reflections	57257
<I/σ(I)>	22.67
Completeness [%]	99.7	98.8
Redundancy	5.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5 *	18 *	100 mM Bicine, 5 mM AMP, 1.8 M Ammonium Sulfate, pH 9.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12.5 (mg/ml)
2	1	reservoir	sodium acetate	0.1 (M)
3	1	reservoir	PEG4000	0.1-0.5 (%)
4	1	reservoir	glycerol	6 (%(v/v))
5	1	reservoir	beta-mercaptoethanol	1 (mM)
6	1	reservoir		0.02 (%(w/v))