5J77

Mutant glyceraldehyde dehydrogenase (F34M+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	2014-03-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	C 1 2 1
Unit cell lengths	108.071, 158.423, 130.050
Unit cell angles	90.00, 91.57, 90.00

Refinement procedure

Resolution	44.630 - 2.100
R-factor	0.17843
Rwork	0.176
R-free	0.22631
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5izd
RMSD bond length	0.016
RMSD bond angle	1.685
Data reduction software	XDS (November 3, 2014)
Data scaling software	XDS (November 3, 2014)
Phasing software	MOLREP (11.2.08)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.630	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.092
Number of reflections	126605
<I/σ(I)>	12.13	2.32
Completeness [%]	99.6	98.7
Redundancy	3.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	0.1 M sodium acetate pH 4.6, 40%(v/v) PEG 200