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 |