1V8F
Crystal Structure of Pantoate-beta-Alanine (Pantothenate Synthetase) from Thermus Thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-06-15 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 88.514, 88.514, 266.720 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| Rwork | 0.205 |
| R-free | 0.25700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ufv |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.498 |
| Number of reflections | 46607 | |
| <I/σ(I)> | 11.5 | 7.33 |
| Completeness [%] | 96.0 | 90.1 |
| Redundancy | 10.8 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8 | 295 | PEG4000, TRIS, lithium cloride, pH 8, MICROBATCH, temperature 295K |
