1ZCH

Structure of the hypothetical oxidoreductase YcnD from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-01
Detector	MARRESEARCH
Wavelength(s)	0.8126
Spacegroup name	C 2 2 21
Unit cell lengths	59.101, 89.075, 93.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.790 - 1.850
R-factor	0.171
Rwork	0.171
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bkj
RMSD bond length	0.006
RMSD bond angle	1.100
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	21381
<I/σ(I)>	47	8.1
Completeness [%]	99.6	95.9
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG-400, CaCl2, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K