5YHB

Crystal structure of Pd(allyl)/polyhedra mutant with deletion of Gly192-Ala194

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	I 2 3
Unit cell lengths	105.920, 105.920, 105.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.200 - 2.080
R-factor	0.19371
Rwork	0.188
R-free	0.24367
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gqk
RMSD bond length	0.015
RMSD bond angle	1.762
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.080	2.080
Rmeas	0.908	14.800
Number of reflections	12029	3781
<I/σ(I)>	9.78	0.95
Completeness [%]	100.0	100
Redundancy	68.9	69.1
CC(1/2)	0.994	0.386

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL		300	in vivo crystallization