1A2N
STRUCTURE OF THE C115A MUTANT OF MURA COMPLEXED WITH THE FLUORINATED ANALOG OF THE REACTION TETRAHEDRAL INTERMEDIATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-12-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 111.150, 111.150, 67.510 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| R-factor | 0.175 |
| Rwork | 0.175 |
| Structure solution method | REFINEMENT |
| Starting model (for MR) | 1uae |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.400 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR (3.1) |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.109 | 0.380 |
| Number of reflections | 11692 | |
| <I/σ(I)> | 7 | 2.1 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8.5 | 4 * | PROTEIN WAS CRYSTALLIZED FROM 40% TERT-BUTANOL, 100 MM CACL2, 100 MM TRIS-HCL, PH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 2 | 1 | reservoir | tert-butyl alcohol | 25 (%) | |
| 3 | 1 | reservoir | 100 (mM) | ||
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
