1E72

Myrosinase from Sinapis alba with bound gluco-hydroximolactam and sulfate or ascorbate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	1998-08-15
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	135.300, 137.200, 80.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.600
R-factor	0.129 *
Rwork	0.129
R-free	0.15700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e4m
RMSD bond length	0.019
RMSD bond angle	0.032
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.300	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.076	0.256
Number of reflections	84662 *
<I/σ(I)>	5.2	2
Completeness [%]	99.7	99.7
Redundancy	4.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *		Burmeister, W.P., (1997) Structure (London), 5, 663. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	myrosinase	12 (mg/ml)
2	1	drop	HEPES	30 (mM)
3	1	drop		0.05 (%)
4	1	reservoir	ammonium sulfate	66 (%sat)
5	1	reservoir	Tris-HCl	100 (mM)