1DZH
P14-FLUORESCEIN-N135Q-S380C-ANTITHROMBIN-III
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX7.2 |
| Synchrotron site | SRS |
| Beamline | PX7.2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.175, 99.865, 89.421 |
| Unit cell angles | 90.00, 105.63, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.850 |
| Rwork | 0.207 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ant |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.027 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.850 |
| Rmerge | 0.073 |
| Total number of observations | 102580 * |
| Number of reflections | 27305 |
| <I/σ(I)> | 15.5 |
| Completeness [%] | 99.7 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 5MG/ML 1:1 MIX OF INHIBITORY: LATENT ANTITHROMBIN-III, 10.5% PEG 4000, 65 MM NACACODYLATE, PH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 5 (mg/ml) | |
| 2 | 1 | 1 | PEG4000 | 10.5 (%) | |
| 3 | 1 | 1 | sodium cacodylate | 65 (mM) |
