4DZ4
X-ray crystal structure of a hypothetical Agmatinase from Burkholderia thailandensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-27 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.080, 101.250, 102.990 |
| Unit cell angles | 90.00, 97.09, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.1536 |
| Rwork | 0.152 |
| R-free | 0.17500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.446 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 102.200 | 1.740 | |
| High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
| Rmerge | 0.063 | 0.031 | 0.518 |
| Number of reflections | 220002 | 2567 | 15879 |
| <I/σ(I)> | 23.53 | 82.32 | 2.84 |
| Completeness [%] | 99.4 | 99.4 | 97.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | 20% PEG-3350, 200 mM Sodium citrate tribasic, 38.9 mg/ml ButhA.00719.a.A1 PS01293, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
