3RKU

Substrate Fingerprint and the Structure of NADP+ Dependent Serine Dehydrogenase from Saccharomyces cerevisiae complexed with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2010-09-08
Detector	RIGAKU SATURN 944+
Spacegroup name	P 1 21 1
Unit cell lengths	82.390, 87.250, 83.810
Unit cell angles	90.00, 112.98, 90.00

Refinement procedure

Resolution	40.949 - 2.600
R-factor	0.1913
Rwork	0.189
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nwq
RMSD bond length	0.011
RMSD bond angle	1.280
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.161	45.870	2.440
High resolution limit [Å]	2.360	5.080	2.360
Rmerge	0.135	0.095	0.489
Total number of observations		12307	11864
Number of reflections	44993
<I/σ(I)>	6.3	9.8	2
Completeness [%]	99.9	99.7	99.8
Redundancy	4.06	4.04	3.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	10% v/v MPD, 24% w/v PEG4000, 0.1 M ammonium thiocyanate, Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K