1K6X
Crystal structure of Nmra, a negative transcriptional regulator in complex with NAD at 1.5 A resolution (Trigonal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9919 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 76.690, 76.690, 104.480 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 * - 1.500 |
| R-factor | 0.182 * |
| Rwork | 0.189 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k6i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.540 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.064 | 0.247 |
| Number of reflections | 54613 | |
| <I/σ(I)> | 29.5 | 2.2 |
| Completeness [%] | 95.0 | 68.4 |
| Redundancy | 8.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | Nichols, C.E., (2001) Acta Crystallogr., Sect.D, 57, 1722. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 18 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | ||
| 3 | 1 | drop | PEG6000 | ||
| 4 | 1 | reservoir | 3.6 (M) | ||
| 5 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 6 | 1 | reservoir | sodium potassium phosphate | 0.1 (M) |
