4OPG

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	63.232, 81.700, 105.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.214 - 2.070
R-factor	0.1855
Rwork	0.185
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.612
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	2.110
High resolution limit [Å]	2.070	2.070
Number of reflections	34256
Completeness [%]	100.0	99.9
Redundancy		8

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 and 0.2 M L-proline, VAPOR DIFFUSION, SITTING DROP, temperature 298K