2A7K

carboxymethylproline synthase (CarB) from pectobacterium carotovora, apo enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	87.207, 89.860, 264.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.596 - 2.240
R-factor	0.188
Rwork	0.185
R-free	0.23850
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.484
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.930	2.360
High resolution limit [Å]	2.100	2.240
Rmerge	0.088	0.350
Number of reflections	100581
<I/σ(I)>	5.7	3.4
Completeness [%]	99.8	99.6
Redundancy	4.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	PEG 400, MgCl2, HEPES.Na, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	PEG 400, MgCl2, HEPES.Na, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	PEG 400, MgCl2, HEPES.Na, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	PEG 400, MgCl2, HEPES.Na, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K