1QF1
THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYLHEPTANOYL)-PHE-ALA. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 278 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 2 2 |
| 格子定数 [Å] | 93.310, 93.310, 131.820 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 10.000 - 2.000 |
| R因子 | 0.165 * |
| Rwork | 0.165 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lnf |
| 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] | 23.740 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 23.400 | 2.230 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.093 * | |
| 独立反射数 | 23624 | |
| <I/σ(I)> | 8 | 2.9 |
| 完全性 [%] | 99.2 | 99 |
| 冗長性 | 3.4 | 3.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | other * | 8 | Matthews, B.W., (1972) Nat. New. Biol., 238, 37. * |
