5DNA

Crystal structure of Candida boidinii formate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-04-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	53.711, 68.514, 109.458
Unit cell angles	78.11, 89.66, 81.24

Refinement procedure

Resolution	19.895 - 1.750
R-factor	0.1453
Rwork	0.143
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j6i
RMSD bond length	0.011
RMSD bond angle	1.266
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.061	0.411
Number of reflections	141899
<I/σ(I)>	15.3	2.9
Completeness [%]	93.2	90
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M sodium acetate trihydrate, 0.1 M HEPES, 25% PEG 4000, pH 7.5