6C56

Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in its Apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-21
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	I 4 2 2
Unit cell lengths	185.100, 185.100, 115.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.390 - 2.800
R-factor	0.18804
Rwork	0.185
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q80
RMSD bond length	0.021
RMSD bond angle	2.167
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.390	2.880
High resolution limit [Å]	2.800	2.800
Rmerge	0.039	1.129
Rpim	0.014	0.397
Number of reflections	24791	1791
<I/σ(I)>	36.5	2.2
Completeness [%]	99.9	99.7
Redundancy	9.9	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.26 M ammonium phosphate, 35% glycerol