6G46
Red kidney bean purple acid phosphatase in complex with 2-(Naphthalen-1-yl)thiazole-4-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 126.208, 126.208, 297.119 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.262 - 2.400 |
| R-factor | 0.1747 |
| Rwork | 0.172 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dhl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.957 |
| Data reduction software | CrystalClear (2.0) |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.270 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.083 | 0.280 |
| Rmeas | 0.094 | 0.338 |
| Number of reflections | 107272 | |
| <I/σ(I)> | 10.9 | 3.4 |
| Completeness [%] | 99.4 | 97.5 |
| Redundancy | 4.36 | 2.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291.15 | 2 M ammonium sulfate and 0.1 M sodium acetate, pH 4.0 |
