2H1B
ResA E80Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.93400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.969, 46.511, 95.054 |
| Unit cell angles | 90.00, 105.40, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.950 |
| R-factor | 0.176 |
| Rwork | 0.151 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1su9 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.420 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.670 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.063 | 0.148 |
| Total number of observations | 21977 | |
| Number of reflections | 39655 | |
| <I/σ(I)> | 9.3 | 4.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.1 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 27 - 30 % PEG 4,000, 0.1 M Sodium Citrate pH 5 - 5.8, 0.2 M Ammonium Acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
