4PQB
A sperm whale myoglobin double mutant L29E/F43H Mb with a non-native bis-His (His64/His93) coordination
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 33.968, 60.898, 75.356 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 47.360 - 1.942 |
| R因子 | 0.1855 |
| Rwork | 0.182 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4it8 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.169 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Quality characteristics
| Overall | |
| 分解能 [Å] (低) | 47.360 |
| 分解能 [Å] (高) | 1.940 |
| Rmerge_l_obs | 0.100 |
| 独立反射数 | 11952 |
| 完全性 [%] | 98.9 |
| 冗長性 | 5.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate, 30% w/v Polyethylene glycol 8,000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K, temperature 277.0K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate, 30% w/v Polyethylene glycol 8,000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K, temperature 277.0K |
