2IF7
Crystal Structure of NTB-A
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9789,0.9791,0.9714 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 121.196, 148.452, 86.572 |
Unit cell angles | 90.00, 112.86, 90.00 |
Refinement procedure
Resolution | 40.000 - 3.000 |
R-factor | 0.216 |
Rwork | 0.213 |
R-free | 0.26600 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.085 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.059 | 0.348 |
Number of reflections | 28402 | |
<I/σ(I)> | 15.1 | 3.08 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 0.4-0.5 M CaCl2, 0.1 M HEPES pH 7.4, 1.0 mM Pt(NH3)2Cl2, 4% PEG-400, Vapor diffusion, Sitting drop, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 0.4-0.5 M CaCl2, 0.1 M HEPES pH 7.4, 1.0 mM Pt(NH3)2Cl2, 4% PEG-400, Vapor diffusion, Sitting drop, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 0.4-0.5 M CaCl2, 0.1 M HEPES pH 7.4, 1.0 mM Pt(NH3)2Cl2, 4% PEG-400, Vapor diffusion, Sitting drop, temperature 277K |