2F82

HMG-CoA synthase from Brassica juncea in the apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 61 2 2
Unit cell lengths	61.130, 61.130, 433.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.670 - 2.100
R-factor	0.19724
Rwork	0.195
R-free	0.23958
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1TXT
RMSD bond length	0.015
RMSD bond angle	1.546
Data reduction software	NEMO
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.100	2.100
Number of reflections	29353
<I/σ(I)>	20.16	4.88
Completeness [%]	98.0	89.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	17% PEG 20K, 0.25M TMAO, 100mM PIPES, 2mM dithiothreitol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K