4JDP
Crystal structure of probable p-nitrophenyl phosphatase (pho2) (target EFI-501307) from Archaeoglobus fulgidus DSM 4304 with Magnesium bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.559, 64.733, 135.062 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.770 - 1.760 |
| R-factor | 0.17096 |
| Rwork | 0.170 |
| R-free | 0.20605 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qgm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.203 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.463 | |
| Number of reflections | 52110 | |
| <I/σ(I)> | 12.9 | 4 |
| Completeness [%] | 99.3 | 97.6 |
| Redundancy | 7.9 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 0.2M MAGNESIUM CHLORIDE, 0.1M TRIS-HCL, 30% PEG4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP |
