4C5G

Crystal structure of the minimal Pho-Sfmbt complex (P6122 spacegroup)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-17
Detector	ADSC QUANTUM 315r
Spacegroup name	P 61 2 2
Unit cell lengths	155.100, 155.100, 100.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.200 - 2.100
R-factor	0.2059
Rwork	0.204
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENRTY 3H6Z
RMSD bond length	0.002
RMSD bond angle	0.686
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.160
Number of reflections	41850
<I/σ(I)>	17.4	1.5
Completeness [%]	99.5	98.2
Redundancy	15.6	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1