1FEP
FERRIC ENTEROBACTIN RECEPTOR
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-11 |
Detector | RIGAKU |
Wavelength(s) | 0.9792,0.9789,0.9686,0.9871,1.6024 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 112.300, 127.600, 135.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
Rwork | 0.236 |
R-free | 0.28200 |
Structure solution method | MAD |
RMSD bond length | 0.019 |
RMSD bond angle | 3.292 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | CNS (0.3C) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.480 |
High resolution limit [Å] | 2.400 | 2.390 |
Rmerge | 0.056 | 0.220 |
Total number of observations | 409519 * | |
Number of reflections | 72601 | |
<I/σ(I)> | 15.1 | 2.1 |
Completeness [%] | 97.9 | 87.8 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8 | 294 * | pH 8.0 |
1 | Vapor diffusion, hanging drop * | 8 | 294 * | pH 8.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7.5 (mg/ml) | |
10 | 1 | reservoir | PEG1000 | 28-32 (%) | |
11 | 1 | reservoir | dithiothreitol | 10 (mM) | |
12 | 1 | reservoir | tricine | 0.1 (M) | |
13 | 1 | reservoir | LDAO | 0.06 (%) | |
14 | 1 | reservoir | 0.35 (M) | ||
15 | 1 | reservoir | glycerol | 10 (%) | and reservoir 2mM NaN3 |
2 | 1 | drop | PEG1000 | 14-18 (%) | |
3 | 1 | drop | tricine | 0.05 (M) | |
4 | 1 | drop | MOPS | 0.0125 (M) | |
5 | 1 | drop | LDAO | 0.055 (%) | |
6 | 1 | drop | 0.35 (M) | ||
7 | 1 | drop | heptane-1,2,3-triol | 1.75 (%) | |
8 | 1 | drop | glycerol | 15 (%) | |
9 | 1 | drop | 2 (mM) |