4A3U

X-structure of the old yellow enzyme homologue from zymomonas mobilis (NCR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-23
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	52.600, 90.500, 76.600
Unit cell angles	90.00, 108.30, 90.00

Refinement procedure

Resolution	43.060 - 1.700
R-factor	0.24205
Rwork	0.239
R-free	0.30275
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gqa
RMSD bond length	0.016
RMSD bond angle	1.945
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.100	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.110	0.150
Number of reflections	64934
<I/σ(I)>	6.59	3
Completeness [%]	86.8	49.2
Redundancy	3.3	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			THE CRYSTALS OF NCR WERE GROWN BY THE SITTING DROP METHOD IN A BUFFER CONTAINING 15% PEG 8000, 0.1 M NA CACODYLATE, AND 0.2 M CA ACETATE, AT PH 6.5. 0.4 MICRO L DIOXAN (30%) AND 0.4 MICRO L ISOPROPANOL WERE ADDED TO THE MICRO L CRYSTALLIZATION DROPS.