6LZ8
Crystal structure of MERS-CoV N-NTD complexed with ligand P4-4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2017-04-25 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.154, 111.028, 92.261 |
Unit cell angles | 90.00, 100.97, 90.00 |
Refinement procedure
Resolution | 26.653 - 2.590 |
R-factor | 0.2416 |
Rwork | 0.237 |
R-free | 0.28690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j3k |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 5.550 | 2.670 |
High resolution limit [Å] | 2.580 | 4.410 | 2.580 |
Rmerge | 0.095 | 0.053 | 0.428 |
Rmeas | 0.103 | 0.059 | 0.461 |
Rpim | 0.040 | 0.024 | 0.170 |
Number of reflections | 34259 | 2156 | 2083 |
<I/σ(I)> | 7.9 | ||
Completeness [%] | 97.8 | 99.5 | 95.9 |
Redundancy | 6.8 | 6.1 | 7.3 |
CC(1/2) | 0.996 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Protein 5 mg/mL, Tris-HCl (pH=7.5) 25 mM, NaCl 75 mM, MES (pH=5.5) 140 mM ,(NH4)2SO4 75 mM, PEG 3350 29 %, NaBr 2 mM, ligands 2 mM |