4QVS
2.1 Angstrom resolution crystal structure of S-layer domain-containing protein (residues 221-444) from Clostridium thermocellum ATCC 27405
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 65.958, 74.813, 98.398 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.350 - 2.100 |
R-factor | 0.20994 |
Rwork | 0.208 |
R-free | 0.24878 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.814 |
Data reduction software | xia2 |
Data scaling software | pointless |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.079 | 0.620 |
Number of reflections | 14480 | |
<I/σ(I)> | 43.56 | 2.6 |
Completeness [%] | 99.1 | 95.3 |
Redundancy | 7 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | protein: 9.35 mg/mL in 10 mM Tris-HCl pH 8.3, 500 mM NaCl, 5 mM BME, crystallization: The PEGs II Suite G11 (83): 0.5 M Lithium chloride, 0.1 M Tris pH 8.5. 28% (w/v) PEG 6000, cyo: well solution, VAPOR DIFFUSION, SITTING DROP, temperature 295K |