1K57
OXA 10 class D beta-lactamase at pH 6.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-10-04 |
Detector | MARRESEARCH |
Wavelength(s) | 0.934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.755, 82.520, 101.791 |
Unit cell angles | 90.00, 95.50, 90.00 |
Refinement procedure
Resolution | 33.770 - 1.900 |
R-factor | 0.17941 * |
Rwork | 0.179 |
R-free | 0.22234 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1e4d |
RMSD bond length | 0.023 |
RMSD bond angle | 1.931 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.770 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.085 | 0.404 |
Total number of observations | 215405 * | |
Number of reflections | 84615 | 11824 * |
<I/σ(I)> | 9.7 | 3 |
Completeness [%] | 97.8 | 94 |
Redundancy | 2.5 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 * | 4 * | ammonium sulfate, HEPES. Crystallization occured at pH 7.5. After obtaining the crystal, the pH was lowered to 6.0 for data collection., VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | sodium potassium phosphate | 20 (mM) | pH7.8 |
3 | 1 | reservoir | ammonium sulfate | 2.0 (M) | |
4 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5, or 100mM Na/Hepes(pH7.5) |