3EVJ
Intermediate structure of antithrombin bound to the natural pentasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-09-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.488 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.846, 87.055, 92.383 |
Unit cell angles | 90.00, 106.18, 90.00 |
Refinement procedure
Resolution | 63.240 - 3.000 |
R-factor | 0.231 |
Rwork | 0.231 |
R-free | 0.28900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nq9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.250 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.116 | 0.523 |
Number of reflections | 20068 | |
<I/σ(I)> | 3 | 2.1 |
Completeness [%] | 99.2 | 99.4 |
Redundancy | 3.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 295 | 200mM NH4F, 20% PEG 3350, pH 7.0, EVAPORATION, temperature 295K |