3H3T
Crystal structure of the CERT START domain in complex with HPA-16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2005-03-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9778 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.340, 74.568, 78.021 |
Unit cell angles | 90.00, 102.84, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e3n |
RMSD bond length | 0.013 |
RMSD bond angle | 1.469 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.074 | 0.045 | 0.340 |
Number of reflections | 18692 | ||
<I/σ(I)> | 26.082 | ||
Completeness [%] | 99.9 | 99.7 | 99.5 |
Redundancy | 5.1 | 5.1 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | vapor diffusion, temperature 293K, VAPOR DIFFUSION |