6CNI

Crystal structure of H105A PGAM5 dimer

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	2016-06-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	71.003, 72.018, 81.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.029 - 1.700
R-factor	0.1724
Rwork	0.171
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mxo
RMSD bond length	0.006
RMSD bond angle	0.794
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.029	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.075	0.760
Rmeas	0.079	0.814
Rpim	0.022	0.286
Number of reflections	89093	4520
<I/σ(I)>	21.78	2.3
Completeness [%]	99.7	97.54
Redundancy	12.1	7.8
CC(1/2)	1.000	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, pH 7.5 0.2 M MgCl2 30% PEG 400