5I1V

Crystal structure of CrmK, a flavoenzyme involved in the shunt product recycling mechanism in caerulomycin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-09-10
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	63.630, 95.730, 98.440
Unit cell angles	95.18, 96.98, 104.39

Refinement procedure

Resolution	96.940 - 1.840
R-factor	0.1625
Rwork	0.161
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y08
RMSD bond length	0.014
RMSD bond angle	1.673
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.940	48.470	1.940
High resolution limit [Å]	1.840	5.820	1.840
Rmerge		0.061	0.828
Number of reflections	184445
<I/σ(I)>	7.5	10	0.8
Completeness [%]	95.9	97.5	94.7
Redundancy	4	4	3.9
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	295	0.96 M sodium citrate