1J1Y
Crystal Structure of PaaI from Thermus thermophilus HB8
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45PX |
| Synchrotron site | SPring-8 |
| Beamline | BL45PX |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-10-12 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 0.97950, 0.97945, 1.02000 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 57.877, 57.877, 139.607 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.181 * |
| Rwork | 0.181 |
| R-free | 0.19300 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 * |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MLPHARE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.072 | 0.182 |
| Number of reflections | 26981 | |
| <I/σ(I)> | 5.9 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14 | 14.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.5 | 18 * | PEG 400, magnesium chloride, HEPES-Na, pH 7.5, MICROBATCH, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 30.0 (mg/ml) | |
| 2 | 1 | 1 | 50 (mM) | ||
| 3 | 1 | 1 | Tris-HCl | 20 (mM) | pH8.0 |
| 4 | 1 | 1 | PEG400 | 30 (%(v/v)) | |
| 5 | 1 | 1 | 0.2 (M) | ||
| 6 | 1 | 1 | HEPES-NaOH | 0.1 (M) | pH7.5 |
