4BZO

Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-12
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 65
格子定数 [Å]	97.932, 97.932, 81.431
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	30.000 - 2.100
R因子	0.18315
Rwork	0.181
R-free	0.21643
Structure solution method	OTHER
Starting model (for MR)	NONE
結合長の平均二乗偏差(RMSD) [Å]	0.010
結合角の平均二乗偏差(RMSD) [度]	1.334
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.6.0117)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	30.000	2.180
分解能 [Å] (高)	2.100	2.100
Rmerge_l_obs	0.090	0.550
独立反射数	25928
<I/σ(I)>	13	3.2
完全性 [%]	99.6	99.5
冗長性	5.6

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1				20% PEG 3350K, 0.3 M NACL, 0.1 M TRISHCL PH 7.6