1XVT
Crystal Structure of Native CaiB in complex with coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 87.760, 87.760, 164.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.100 - 2.300 |
R-factor | 0.19878 |
Rwork | 0.197 |
R-free | 0.23713 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xk6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.210 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.100 | 2.390 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 28766 | |
<I/σ(I)> | 26.7 | 4.8 |
Completeness [%] | 99 | |
Redundancy | 5.5 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 294 | 1.35M Sodium citrate, 0.1 M Tris-Cl (pH 7.0), VAPOR DIFFUSION, temperature 21K |