1O4T
Crystal structure of a predicted oxalate decarboxylase (tm1287) from thermotoga maritima at 1.95 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-26 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.132, 49.738, 69.547 |
| Unit cell angles | 90.00, 123.73, 90.00 |
Refinement procedure
| Resolution | 33.520 * - 1.950 |
| R-factor | 0.163 |
| Rwork | 0.160 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fi2 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.570 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (4.2)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.520 * | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.695 * | |
| Total number of observations | 62794 * | |
| Number of reflections | 17758 | |
| <I/σ(I)> | 10.4 | 1.8 |
| Completeness [%] | 0.1 * | 88 |
| Redundancy | 3.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.9 * | 293 | 20 % PEG 6000, 1.0 M LiCl, 0.1 M MES, pH 6.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, pH 6.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 20 (mlsat) | pH7.9 |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | TCEP | 0.25 (mM) | |
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | reservoir | PEG6000 | 20 (%) | |
| 6 | 1 | reservoir | 1.0 (M) | ||
| 7 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |
