1K56
OXA 10 class D beta-lactamase at pH 6.5
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 | 2001-10-04 |
Detector | MARRESEARCH |
Wavelength(s) | 0.934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.652, 82.430, 101.715 |
Unit cell angles | 90.00, 95.49, 90.00 |
Refinement procedure
Resolution | 27.000 - 1.700 |
R-factor | 0.18344 * |
Rwork | 0.183 |
R-free | 0.22068 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1e4d |
RMSD bond length | 0.018 |
RMSD bond angle | 1.686 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.400 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.068 | 0.341 |
Total number of observations | 307069 * | |
Number of reflections | 118305 | 17487 * |
<I/σ(I)> | 12.2 | 4.1 |
Completeness [%] | 98.3 | 99.7 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 * | 4 * | ammonium sulphate, HEPES. Crystallization occured at pH 7.5. After obtaining the crystal, the pH was lowered to 6.5 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) |