2PAN

Crystal structure of E. coli glyoxylate carboligase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97897, 0.97946, 0.93929
Spacegroup name	P 41 21 2
Unit cell lengths	188.180, 188.180, 249.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.22
Rwork	0.219
R-free	0.25300
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.229
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.101	0.347
Number of reflections	122672
<I/σ(I)>	9.43	2.76
Completeness [%]	99.2	93.1
Redundancy	4.4	2.21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294	2-4 microlitre of protein solution (5-15 mg/ml, 100 micromolar ThDP, 10 micromolar FAD, 1mM MgCl2 and 10 mM quinone Q0) were mixed with equal volume of reservoir solution (0.5% PEG6000, 0.5M NaCl, 40 mM DTT), pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 294.K