1BR8
IMPLICATIONS FOR FUNCTION AND THERAPY OF A 2.9A STRUCTURE OF BINARY-COMPLEXED ANTITHROMBIN
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 |
| Collection date | 1997-08-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.120, 101.690, 87.020 |
| Unit cell angles | 90.00, 104.36, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.900 |
| R-factor | 0.228 * |
| R-free | 0.29700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ant |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | AMoRE |
| Refinement software | TNT (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.120 |
| High resolution limit [Å] | 2.900 | 2.940 |
| Rmerge | 0.046 | 0.130 |
| Number of reflections | 23603 | |
| <I/σ(I)> | 13.6 | 5.6 |
| Completeness [%] | 95.4 | 87.8 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.9 | 30.6% W/V PEG4000, 35% V/V GLYCEROL, 30 MM CACODYLATE, PH 6.9 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 10 (mg/ml) | |
| 2 | 1 | 1 | PEG4000 | 30.6 (%(w/v)) | |
| 3 | 1 | 1 | glycerol | 35 (%(v/v)) | |
| 4 | 1 | 1 | cacodylate | 30 (mM) |
