5M4X

Mutant glyceraldehyde dehydrogenase (F34M+Y399C+S405N) from Thermoplasma acidophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 41 21 2
Unit cell lengths	120.292, 120.292, 344.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.730 - 3.560
R-factor	0.3121
Rwork	0.312
R-free	0.31920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5izd
RMSD bond length	0.010
RMSD bond angle	1.515
Data reduction software	XDS (October 15, 2015)
Data scaling software	XDS (October 15, 2015)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.730	3.770
High resolution limit [Å]	3.560	3.560
Rmerge	0.195
Number of reflections	31219
<I/σ(I)>	14.14	1.97
Completeness [%]	99.5	98.8
Redundancy	12.87
CC(1/2)	0.999	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1 M Bicine pH 9.0, 10% PEG 20 000, 2% dioxane