6NTZ

Crystal structure of E. coli PBP5-meropenem

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-09
Detector	RAYONIX MX300HE
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
格子定数 [Å]	124.810, 50.800, 80.220
格子定数 [度]	90.00, 118.69, 90.00

精密化法

残基	46.082 - 2.200
R因子	0.2161
Rwork	0.214
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mzf
結合長の平均二乗偏差(RMSD) [Å]	0.006
結合角の平均二乗偏差(RMSD) [度]	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	46.082	46.082	2.390
分解能 [Å] (高)	2.200	10.420	2.330
Rmerge_l_obs	0.127	0.025	6.200
Rmeas	0.140	0.027	6.986
独立反射数	52513	694	3703
<I/σ(I)>	7.27	34.38	0.24
完全性 [%]	99.5	97.9	96.7
冗長性	5.725	5.305	4.475
CC(1/2)	0.999	1.000

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION	7	298.15	PBP5 protein was crystallized using 0.2 uL protein solution (5 mg/mL purified protein in 20 mM HEPES pH8, 300 mM NaCl) and 1 uL of mother liquor (0.1 M tris pH 7, 7% PEG 400) with the addition of 1 mM meropenem.