1SCI

K236L mutant of hydroxynitrile lyase from Hevea brasiliensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-18
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	47.741, 107.028, 128.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.910 - 2.180
R-factor	0.171
Rwork	0.171
R-free	0.21200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2yas
RMSD bond length	0.005
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.260
High resolution limit [Å]	2.180	2.180
Number of reflections	17474
<I/σ(I)>	31.9	22.3
Completeness [%]	99.7	99.6
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	ammonium sulfate, PEG 400, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K