7ARZ

Ternary complex of NAD-dependent formate dehydrogenase from Physcomitrium patens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.969
Spacegroup name	P 32 2 1
Unit cell lengths	68.360, 68.360, 203.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.910 - 2.150
R-factor	0.2082
Rwork	0.206
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n7u
RMSD bond length	0.008
RMSD bond angle	1.608
Data reduction software	HKL-2000
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.910	56.910	2.300
High resolution limit [Å]	2.150	7.240	2.150
Rmerge	0.056	0.020	0.754
Rmeas	0.070	0.026	0.931
Total number of observations	82602
Number of reflections	30481	894	5425
<I/σ(I)>	11.08	35.13	1.24
Completeness [%]	98.5	95.9	97.9
Redundancy	2.71	2.345	2.671
CC(1/2)	0.998	0.999	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	288	Tris 0.1M pH 8.0 + Ammonium sulfate 2.0M