2WEA
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL[CYCLO-7[(2R)-((N-VALYL) AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY) PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT
「1WEA」から置き換えられましたExperimental procedure
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 110 |
Detector technology | AREA DETECTOR |
Collection date | 1997-03-22 |
Detector | SIEMENS-NICOLET X100 |
Spacegroup name | C 1 2 1 |
格子定数 [Å] | 96.330, 46.270, 64.590 |
格子定数 [度] | 90.00, 115.10, 90.00 |
精密化法
残基 | 40.000 - 1.250 |
R因子 | 0.149 |
Rwork | 0.145 |
R-free | 0.19200 * |
Structure solution method | DIFFERENCE FOURIER METHOD |
結合長の平均二乗偏差(RMSD) [Å] | 0.014 |
結合角の平均二乗偏差(RMSD) [度] | 1.454 |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Phasing software | X-PLOR |
Refinement software | TNT |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 40.000 | 1.290 |
分解能 [Å] (高) | 1.250 | 1.250 |
Rmerge_l_obs | 0.059 | 0.148 |
Total number of observations | 203415 * | |
独立反射数 | 58629 | |
<I/σ(I)> | 41.28 | 5.18 |
完全性 [%] | 82.2 | 40.47 |
冗長性 | 3.47 | 2.05 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | Vapor diffusion, hanging drop * | 4.4 | 18-22 * | used macroseeding, Fraser, M.E., (1992) Biochemistry, 31, 5201. * |
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 | drop | ammonium sulfate | 34-40 (%sat) | |
2 | 1 | drop | 0.1 (M) | ||
3 | 1 | drop | complex | 10 (mg/ml) |