1R4N
APPBP1-UBA3-NEDD8, an E1-ubiquitin-like protein complex with ATP
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2003-07-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 135.000, 197.900, 211.000 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 50.000 - 3.600 |
| R因子 | 0.269 |
| Rwork | 0.251 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r4m |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 * |
| 結合角の平均二乗偏差(RMSD) [度] | 1.450 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 3.700 |
| 分解能 [Å] (高) | 3.600 | 3.600 |
| Rmerge_l_obs | 0.087 | 0.361 |
| Total number of observations | 2710454 * | |
| 独立反射数 | 66111 * | |
| <I/σ(I)> | 12.6 | 1.9 |
| 完全性 [%] | 97.9 | 94.4 |
| 冗長性 | 41 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 * | 18 * | peg10k, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
文献の結晶化試薬
| ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
| 1 | 1 | reservoir | PEG10000 | 10.5-10.7 (%) | |
| 10 | 1 | drop | dithiothreitol | 5 (mM) | pH7.6 |
| 11 | 1 | drop | protein | 15-30 (mg/ml) | |
| 2 | 1 | reservoir | Tris | 0.1 (M) | |
| 3 | 1 | reservoir | 0.4 (M) | ||
| 4 | 1 | reservoir | PEG400 | 10 (%) | |
| 5 | 1 | reservoir | dithiothreitol | 5 (mM) | pH8.0-8.5 |
| 6 | 1 | drop | Tris | 50 (mM) | |
| 7 | 1 | drop | 150 (mM) | ||
| 8 | 1 | drop | 5 (mM) | ||
| 9 | 1 | drop | ATP | 5 (mM) |
