9ULD

Ambient temperature crystal structure of Nmar_1308 protein at 3.40 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	298
Detector technology	CCD
Collection date	2023-10-27
Detector	MPCCD
Wavelength(s)	1.77
Spacegroup name	P 32 1 2
Unit cell lengths	81.330, 81.330, 219.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.430 - 3.400
R-factor	0.3225
Rwork	0.322
R-free	0.36210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.588
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.710	3.820
High resolution limit [Å]	3.400	3.400
Number of reflections	56418	6425
<I/σ(I)>	3.7	1.73
Completeness [%]	100.0
Redundancy	62.81
CC(1/2)	0.880	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	0.3M Magnesium chloride hexahydrate, 0.3M Calcium chloride dihydrate, 1.0M Tris (base), BICINE pH 8.5, 40% v/v PEG 500* MME, 20% w/v PEG 2000