2J46
Water structure of T. Aquaticus Ffh NG Domain At 1.1A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-01-21 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.473, 54.496, 98.799 |
| Unit cell angles | 90.00, 97.72, 90.00 |
Refinement procedure
| Resolution | 29.840 - 1.140 |
| R-factor | 0.15 |
| Rwork | 0.149 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jpn |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.621 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.500 | 1.110 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.040 | 0.260 |
| Number of reflections | 199458 | |
| <I/σ(I)> | 30.6 | 2.6 |
| Completeness [%] | 94.6 | 80 |
| Redundancy | 2.6 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.7 | 30% MPD, 0.1M NAACETATE, PH 4.7, 0.1M MNCL2, 2MM MGCL2 |
