4C5H

Crystal structure of the minimal Pho-Sfmbt complex (P3121 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	2011-02-17
Detector	ADSC CCD
Spacegroup name	P 31 2 1
Unit cell lengths	120.780, 120.780, 153.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.489 - 3.200
R-factor	0.2215
Rwork	0.221
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h6z
RMSD bond length	0.002
RMSD bond angle	0.605
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	3.280	3.280
High resolution limit [Å]	3.200	3.200
Rmerge	0.200
Number of reflections	21760
<I/σ(I)>	10.3	1.3
Completeness [%]	99.9	99.6
Redundancy	7.7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1