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 |