4OPC

Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	108.524, 65.253, 63.203
Unit cell angles	90.00, 91.98, 90.00

Refinement procedure

Resolution	41.870 - 1.400
R-factor	0.152
Rwork	0.151
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.098
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (dev_1525)
Refinement software	PHENIX ((phenix.refine: dev_1525))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	86371
Completeness [%]	96.6	82.4
Redundancy		4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M Tris pH 7.5, 10% PEG 3350, 0.2 M L-proline, VAPOR DIFFUSION, SITTING DROP, temperature 298K