2V0C
LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A SULPHAMOYL ANALOGUE OF LEUCYL-ADENYLATE In the synthetic site and an adduct of AMP with 5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2690) in the editing site
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-20 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
格子定数 [Å] | 101.830, 154.230, 174.950 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 87.370 - 1.850 |
R因子 | 0.181 |
Rwork | 0.180 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h3n |
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] | 1.494 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 1.900 |
分解能 [Å] (高) | 1.850 | 1.850 |
Rmerge_l_obs | 0.060 | 0.550 |
独立反射数 | 472672 | |
<I/σ(I)> | 13.86 | 2.42 |
完全性 [%] | 99.3 | 91.2 |
冗長性 | 4.1 | 3.7 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | PROTEIN 10 MG/ML IN 50MM BIS-TRIS PROPANE BUFFER PH 6.0-6.5 2MM DTT, 20MM MGCL2, 1MM NAN3, 18% AMMONIUM SULPHATE EQUILBRIATED AGAINST 30-38% AMMONIUM SULPHATE IN 100MM BIS-TRIS PROPANE BUFFER PH 6.0-6.5. |