6YMZ

Structure of the CheB methylsterase from P. atrosepticum SCRI1043

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	I 4
Unit cell lengths	148.741, 148.741, 206.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.310 - 2.300
R-factor	0.1935
Rwork	0.192
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a2o
RMSD bond length	0.004
RMSD bond angle	0.698
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.310	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	98138	9778
<I/σ(I)>	40.01	3.41
Completeness [%]	98.4	98.13
Redundancy	26.2	25.4
CC(1/2)	0.826	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION		293	2.0M NH4 Sulphate,0.1M Tris-HCl pH 8.50 // 1.25M Na Citrate, 0.1M Na-Hepes pH 7.50