3RHH

Crystal structure of NADP-dependent glyceraldehyde-3-phosphate dehydrogenase from Bacillus halodurans C-125 complexed with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	84.649, 130.753, 86.918
Unit cell angles	90.00, 102.69, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.2348
Rwork	0.232
R-free	0.29700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3prl
RMSD bond length	0.009
RMSD bond angle	1.266
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.115	0.041
Number of reflections	79829
<I/σ(I)>	5.7
Completeness [%]	94.9	97.6	79.2
Redundancy	2.9	3.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	30% peg8000, 0.1 M na cacodylate, pH 6.5, 0.2 M amm sulfate, 2 mM NADP, VAPOR DIFFUSION, SITTING DROP, temperature 298K