8QMM

M291I variant of the [FeFe]-hydrogenase maturase HydE from Thermotoga maritima

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	2023-04-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 2
Unit cell lengths	63.810, 82.140, 70.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.390 - 1.200
R-factor	0.12731
Rwork	0.126
R-free	0.15198
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.884
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.000	1.230
High resolution limit [Å]	1.200	1.200
Number of reflections	115093	15282
<I/σ(I)>	12.96
Completeness [%]	98.8
Redundancy	3.3
CC(1/2)	0.998	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 4000, Thirs ph 8, LiSO4