5NHU
HUMAN ALPHA THROMBIN COMPLEXED WITH ANOPHELES GAMBIAE cE5 ANTICOAGULANT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-07 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.973 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 110.710, 78.640, 136.109 |
Unit cell angles | 90.00, 101.84, 90.00 |
Refinement procedure
Resolution | 54.177 - 1.450 |
R-factor | 0.1803 |
Rwork | 0.179 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u69 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.667 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.200 | 1.470 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.091 | 0.772 |
Number of reflections | 198548 | 9287 |
<I/σ(I)> | 6.8 | 1 |
Completeness [%] | 98.4 | 93.3 |
Redundancy | 3.9 | 2.3 |
CC(1/2) | 0.996 | 0.565 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | Drops consisting of equal volumes (1 microliter) of protein complex (at 6.4 mg/mL) and precipitant solution (0.1M PCTP pH 5.0, 25% w/v PEG 1500) equilibrated against a 300 microliter reservoir. |