1H1B
Crystal structure of human neutrophil elastase complexed with an inhibitor (GW475151)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-10-15 |
Detector | ADSC CCD |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 68.880, 68.880, 241.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.254 |
Rwork | 0.251 |
R-free | 0.31000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hne |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.088 | 0.520 |
Number of reflections | 38930 | |
<I/σ(I)> | 11.7 | 2.2 |
Completeness [%] | 96.1 | 83 |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 * | HNE/GW475151 COMPLEX 10MG/ML IN 10MM NA CITRATE PH 5.0. HANGING DROPS OF EQUAL VOLUMES OF PROTEIN AND PRECIPITANT. PRECIPITANT 1.1-1.2M AMMONIUM SULPHATE, 100MM CITRATE PH 3.8-4.0, ROOM TEMP. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium acetate | 10 (mM) | pH5.0 |
2 | 1 | drop | protein | 10 (mg/ml) | |
3 | 1 | reservoir | ammonium sulfate | 1.1-1.2 (M) | |
4 | 1 | reservoir | citrate | 100 (mM) | pH3.8-4.0 |