6CNL

Crystal Structure of H105A PGAM5 Dodecamer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	49.372, 242.538, 272.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.600 - 2.600
R-factor	0.2253
Rwork	0.223
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5muf
RMSD bond length	0.004
RMSD bond angle	0.769
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.198	1.058
Rmeas	0.222	1.178
Rpim	0.098	0.510
Number of reflections	102228	10012
<I/σ(I)>	7.17	1.44
Completeness [%]	99.8	99.93
Redundancy	5	5.1
CC(1/2)	0.988	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M Tris 7 pH, 0.2 M MgCl2 10% w/v PEG 8000