9ULC

Ambient temperature crystal structure of Nmar_1308 protein at 3.33 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 31 1 2
Unit cell lengths	81.130, 81.130, 216.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.040 - 3.330
R-factor	0.3238
Rwork	0.323
R-free	0.37260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.679
Data reduction software	HKL-2000
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.460	3.470
High resolution limit [Å]	3.330	3.330
Number of reflections	55194	2748
<I/σ(I)>	4.23	1.95
Completeness [%]	100.0
Redundancy	69.84
CC(1/2)	0.910	0.590

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, 25% v/v MPD, 25% PEG 1000, 25% w/v PEG 3350