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9ULC

Ambient temperature crystal structure of Nmar_1308 protein at 3.33 angstrom resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeFREE ELECTRON LASER
Source detailsSACLA BEAMLINE BL2
Synchrotron siteSACLA
BeamlineBL2
Temperature [K]298
Detector technologyCCD
Collection date2023-10-27
DetectorMPCCD
Wavelength(s)1.77
Spacegroup nameP 31 1 2
Unit cell lengths81.130, 81.130, 216.350
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution24.040 - 3.330
R-factor0.3238
Rwork0.323
R-free0.37260
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.003
RMSD bond angle0.679
Data reduction softwareHKL-2000
Data scaling softwareCrystFEL
Phasing softwarePHENIX
Refinement softwarePHENIX ((1.19.2_4158: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.4603.470
High resolution limit [Å]3.3303.330
Number of reflections551942748
<I/σ(I)>4.231.95
Completeness [%]100.0
Redundancy69.84
CC(1/2)0.9100.590
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1BATCH MODE2980.3M 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

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