2H1D
ResA pH 9.25
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 |
| Collection date | 2006-05-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.06880 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.289, 59.791, 110.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.160 - 2.600 |
| R-factor | 0.231 |
| Rwork | 0.195 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1su9 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.829 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.740 |
| High resolution limit [Å] | 2.400 | 2.600 |
| Rmerge | 0.094 | 0.247 |
| Total number of observations | 4975 | |
| Number of reflections | 9636 | |
| <I/σ(I)> | 6.5 | 2.6 |
| Completeness [%] | 97.2 | 98.6 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.25 | 289 | Crystallized at pH 6.5 (30% PEG 4,000, 0.1 M MES, 0.2 M Ammonium Acetate) but then crystal soaked in a cryoprotectant at pH9.25 (MES component replaced by CHES pH 9.25) prior to data collection. The structure therefore represents a 'high pH soak'. See publication for further details., VAPOR DIFFUSION, SITTING DROP, temperature 289K |
