5TV7
2.05 Angstrom Resolution Crystal Structure of Peptidoglycan-Binding Protein from Clostridioides difficile in Complex with Glutamine Hydroxamate.
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 134.949, 35.008, 101.533 |
| 格子定数 [度] | 90.00, 126.25, 90.00 |
精密化法
| 残基 | 29.080 - 2.050 |
| R因子 | 0.17346 |
| Rwork | 0.172 |
| R-free | 0.21030 |
| Structure solution method | SAD |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.313 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0155) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 29.080 | 2.090 |
| 分解能 [Å] (高) | 2.050 | 2.050 |
| Rmerge_l_obs | 0.093 | 0.769 |
| 独立反射数 | 24487 | |
| <I/σ(I)> | 28.1 | 2.06 |
| 完全性 [%] | 100.0 | 99.9 |
| 冗長性 | 5 | 5 |
| CC(1/2) | 0.769 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein: 7.8 mg/ml, 0.25M Sodium chloride, 0.01M Tris HCl (pH 8.3), Screen: JCSG+ (B3), 0.1M Bicine (pH 8.5), 20% (w/v) PEG 6000. |
