1G27
CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 1999-04-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.140, 64.470, 85.290 |
Unit cell angles | 90.00, 123.11, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.043 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | TNT (5E) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.040 | 0.240 |
Number of reflections | 36273 | 2368 * |
<I/σ(I)> | 16.2 | |
Completeness [%] | 94.7 | 92.7 |
Redundancy | 1.95 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 290 | 10mg/ml PDF, 20mM BB-3497, 25% PEG 4000, 0.1M sodium citrate, 0.2M ammonium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP at 290K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | inhibitor | 20 (mM) | |
3 | 1 | drop | HEPES | 50 (mM) | |
4 | 1 | reservoir | PEG4000 | 25-32 (%) | |
5 | 1 | reservoir | sodium citrate | 0.1 (M) | |
6 | 1 | reservoir | ammonium sulfate | 0.2 (M) |