2VBS

Riboflavin kinase Mj0056 from Methanocaldococcus jannaschii in complex with PO4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	77.700, 77.700, 107.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 3.000
R-factor	0.232
Rwork	0.230
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p3m
RMSD bond length	0.014
RMSD bond angle	1.538
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.990	3.200
High resolution limit [Å]	3.000	3.000
Rmerge	0.130	0.330
Number of reflections	6951
<I/σ(I)>	8.43	4.39
Completeness [%]	99.3	100
Redundancy	4.28	4.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				2M NH4SO4