5OWM

Crystal structure of human BRD4(1) bromodomain in complex with UT48

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000020
Spacegroup name	P 21 21 21
格子定数 [Å]	32.452, 47.094, 78.731
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	40.415 - 1.500
R因子	0.1714
Rwork	0.169
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oss
結合長の平均二乗偏差(RMSD) [Å]	0.005
結合角の平均二乗偏差(RMSD) [度]	0.805
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	47.090	1.530
分解能 [Å] (高)	1.500	1.500
Rmerge_l_obs	0.072	0.636
独立反射数	19968	965
<I/σ(I)>	18.4
完全性 [%]	99.7	99.3
冗長性	12.6	11.5
CC(1/2)	0.999	0.967

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP		277	HEPES, Sodium chloride