4XYE

GRANULICELLA M. FORMATE DEHYDROGENASE (FDH) IN COMPLEX WITH NAD(+)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
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	59.050, 113.847, 115.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.980 - 1.800
R-factor	0.1531
Rwork	0.151
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nac
RMSD bond length	0.007
RMSD bond angle	1.164
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]	40.980	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.110	0.610
Number of reflections	78950
<I/σ(I)>	5.9	1.2
Completeness [%]	99.8	99.7
Redundancy	5.3	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Mes pH 6.5, 12 % w/v PEG 2000 MME