1YPF
Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.87000 |
| Spacegroup name | P 4 |
| Unit cell lengths | 114.676, 114.676, 52.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.850 - 1.800 |
| R-factor | 0.17758 |
| Rwork | 0.174 |
| R-free | 0.23778 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jr1 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.627 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.084 | 0.877 |
| Number of reflections | 63577 | |
| <I/σ(I)> | 17.1 | 1.6 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | MPD, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
