5FAR
Crystal structure of dihydroneopterin aldolase from Bacillus anthracis complex with 9-METHYLGUANINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.795, 138.209, 63.933 |
| Unit cell angles | 90.00, 89.97, 90.00 |
Refinement procedure
| Resolution | 45.170 - 2.000 |
| R-factor | 0.19494 |
| Rwork | 0.193 |
| R-free | 0.23253 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nm2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.468 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.210 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.111 | 0.084 | 0.585 |
| Rmeas | 0.124 | 0.093 | 0.662 |
| Rpim | 0.055 | 0.040 | 0.303 |
| Total number of observations | 288910 | ||
| Number of reflections | 62246 | ||
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 84.7 | 99.1 | 67.1 |
| Redundancy | 4.6 | 5.5 | 3.9 |
| CC(1/2) | 0.986 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 0.2 M Ammonium acetate, 0.1M Bis-Tris, 25% PEG3350 |
