6Q2M

Crystal structure of Photinus pyralis Luciferase Pps6 mutant in complex with DLSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	66.268, 95.455, 152.020
Unit cell angles	90.00, 101.56, 90.00

Refinement procedure

Resolution	44.700 - 2.750
R-factor	0.1952
Rwork	0.194
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g36
RMSD bond length	0.011
RMSD bond angle	1.072
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.020	2.798
High resolution limit [Å]	2.750	2.751
Rmerge	0.152	0.948
Rmeas	0.165	1.000
Rpim	0.062	0.380
Number of reflections	46929	2392
<I/σ(I)>	11.8	2.3
Completeness [%]	96.9	99.7
Redundancy	6.9	7.1
CC(1/2)	0.994	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	0.05M EPPS pH 8.5, 25% PEG4000, 2% 2,5 Hexanediol