2HU2
CTBP/BARS in ternary complex with NAD(H) and RRTGAPPAL peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 89.310, 89.310, 162.720 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.000 - 2.850 |
| R-factor | 0.23172 |
| Rwork | 0.227 |
| R-free | 0.27491 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hku |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.946 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.900 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.094 | 0.400 |
| Number of reflections | 9503 | |
| <I/σ(I)> | 21.1 | 1.93 |
| Completeness [%] | 99.8 | 99.99 |
| Redundancy | 9.52 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 2.0M ammonium formate, 0.1M Hepes (pH 7.5), VAPOR DIFFUSION, SITTING DROP, temperature 294K |
