1CQ2
NEUTRON STRUCTURE OF FULLY DEUTERATED SPERM WHALE MYOGLOBIN AT 2.0 ANGSTROM
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | NUCLEAR REACTOR |
| Source details | HIGH FLUX BEAM REACTOR AT BROOKHAVEN NATIONAL LABORATORY |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1994-01-05 |
| Detector | MULTI-WIRE DETECTOR FOR NEUTRONS |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 64.530, 30.910, 34.780 |
| 格子定数 [度] | 90.00, 105.82, 90.00 |
精密化法
| 残基 | 6.000 - 2.000 |
| R因子 | 0.16 |
| Rwork | 0.160 |
| R-free | 0.25000 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.015 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.500 |
| Data reduction software | MADNESS |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 62.000 | 2.120 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.106 | 0.158 |
| 独立反射数 | 8685 | |
| <I/σ(I)> | 9.3 | |
| 完全性 [%] | 96.0 | 92.5 |
| 冗長性 | 1.8 | 1.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion, hanging drop * | 6.2 * | 298 | SODIUM/POTASSIUM PHOSPHATE, AMMONIUM SULFATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
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 | protein | 30 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 45 (%sat) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | reservoir | ammonium sulfate | 70 (%sat) |
