6AUB
CRYSTAL STRUCTURE OF BRUTON'S TYROSINE KINASE IN COMPLEX WITH INHIBITOR CGI2815
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-01 |
| Detector | RIGAKU |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| 格子定数 [Å] | 108.489, 108.489, 42.078 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 27.140 - 1.650 |
| Rwork | 0.166 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ocs |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX (DEV_2863) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.700 |
| 分解能 [Å] (高) | 1.650 | 1.650 |
| 独立反射数 | 34147 | 2383 |
| <I/σ(I)> | 18.3 | 2.6 |
| 完全性 [%] | 99.8 | 99.9 |
| 冗長性 | 5 | 4.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 100 MM IMIDAZOLE PH 7.0, 14% PEG 10,000, 200 MM LI2SO4, 10 MM BETA MERCAPTOETHANOL, 0.75% (W/V) s-BOG |
