2X6E

Aurora-A bound to an inhibitor

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	100
Spacegroup name	P 61 2 2
格子定数 [Å]	83.250, 83.250, 163.310
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	19.996 - 3.350
R因子	0.231
Rwork	0.227
R-free	0.29870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mq4
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]	1.176
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	72.100	3.530
分解能 [Å] (高)	3.350	3.350
Rmerge_l_obs	0.100	0.480
独立反射数	5271
<I/σ(I)>	18.4	7.6
完全性 [%]	100.0	99.1
冗長性	12.7	8

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1				0.1 M NACL, 0.1 M HEPES, PH 7.5 1.6 M AMMONIUM SULFATE.