4XYB

GRANULICELLA M. FORMATE DEHYDROGENASE (FDH) IN COMPLEX WITH NADP(+) AND NaN3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	58.056, 113.804, 116.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.000 - 1.380
R-factor	0.1414
Rwork	0.141
R-free	0.15600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.150
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.640	1.450
High resolution limit [Å]	1.380	1.380
Rmerge	0.080	0.160
Number of reflections	154449
<I/σ(I)>	5.2	4.4
Completeness [%]	97.5	82.4
Redundancy	5.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M Na Acetate 2.0 M Formate pH 4.6