1BO4
CRYSTAL STRUCTURE OF A GCN5-RELATED N-ACETYLTRANSFERASE: SERRATIA MARESCENS AMINOGLYCOSIDE 3-N-ACETYLTRANSFERASE
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-05-15 |
Wavelength(s) | 0.9793, 0.9703, 0.9668 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.540, 102.260, 50.140 |
Unit cell angles | 90.00, 93.73, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.300 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.25000 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 24.000 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SHARP |
Refinement software | CNS (0.3C) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.052 * | 0.093 * |
Total number of observations | 118408 * | |
Number of reflections | 16291 | |
<I/σ(I)> | 7.6 | 6.4 |
Completeness [%] | 92.9 | 92.9 |
Redundancy | 7.3 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 4 * | SITTING DROP, 4 DEGREES C, 3.5MG/ML PROTEIN + 5MM COA, 100MM TRIS-HCL PH7.8, 0.8% PEG4K, 18% T-BUTANOL, 20MM SRCL2, 7% DIOXANE, 5% 2,4-METHYLPENTANEDIOL, 40MM HEXANEDIOL, 10MM DITHIOTHREITOL, 2MM TRIS(2-CARBOXY- ETHYL)PHOSPHINE-HCL, 10MM SPERMIDINE, 2.5% GLYCEROL, vapor diffusion - sitting drop, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 3.5 (mg/ml) | |
10 | 1 | reservoir | dithiothreitol | 10 (mM) | |
11 | 1 | reservoir | tri(2-carboxyethyl)phosphine-HCl | 2 (mM) | |
12 | 1 | reservoir | spermidine | 10 (mM) | |
13 | 1 | reservoir | glycerol | 2.5 (%) | |
2 | 1 | drop | CoA | 5 (mM) | |
3 | 1 | reservoir | Tris-HCl | 100 (mM) | |
4 | 1 | reservoir | PEG4000 | 0.8 (%) | |
5 | 1 | reservoir | t-butanol | 18 (%) | |
6 | 1 | reservoir | 20 (mM) | ||
7 | 1 | reservoir | dioxane | 7 (%) | |
8 | 1 | reservoir | MPD | 50 (%) | |
9 | 1 | reservoir | hexanediol | 40 (mM) |