2BMC
Aurora-2 T287D T288D complexed with PHA-680632
Experimental procedure
| 実験手法 | 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 | 2002-01-25 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| 格子定数 [Å] | 74.020, 101.219, 101.494 |
| 格子定数 [度] | 115.73, 92.40, 101.54 |
精密化法
| 残基 | 29.950 - 2.600 |
| Rwork | 0.228 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNPUBLISHED STRUCTURE |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNX (2000) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 40.000 | 2.740 |
| 分解能 [Å] (高) | 2.600 | 2.600 |
| Rmerge_l_obs | 0.080 | 0.330 |
| 独立反射数 | 77069 | |
| <I/σ(I)> | 6.9 | 2.1 |
| 完全性 [%] | 97.4 | 97.4 |
| 冗長性 | 2.4 | 2.4 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 4.6 | 2.5M NACL, 0.1M NAAC, 0.2M LISO4 WITH NON-DETERGENT SULFOBETAINE 195 AS ADDITIVE IN THE DROP, pH 4.60 |
