5IZD

Wild-type glyceraldehyde dehydrogenase from Thermoplasma acidophilum in complex with NADP

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	2015-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 1 21 1
Unit cell lengths	95.289, 152.353, 149.905
Unit cell angles	90.00, 92.19, 90.00

Refinement procedure

Resolution	48.100 - 2.050
R-factor	0.17021
Rwork	0.168
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k2w
RMSD bond length	0.016
RMSD bond angle	1.748
Data reduction software	XDS (November 3, 2014)
Data scaling software	XDS
Phasing software	BALBES (1.0.0.Nov_16_2011)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.100	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.092
Number of reflections	310836
<I/σ(I)>	14.38	1.98
Completeness [%]	99.8	98.9
Redundancy	6.84
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	20 mM glutamic acid (racemic), 20 mM glycine, 20 mM serine (racemic), 20 mM alanine (racemic), 20 mM lysine-HCl (racemic), 50 mM MOPS, 50 mM Sodium HEPES, pH 7.5; 20% Ethylene Glycol, 10% PEG 8000